5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propylpiperazin-1-yl]-6-ethylpyrazine-2-carboxamide

C26H35ClN6O2 — CID 163715637

IUPAC5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propylpiperazin-1-yl]-6-ethylpyrazine-2-carboxamide
SMILESCCC[C@H]1CN(c2ncc(C(N)=O)nc2CC)CCN1C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H35ClN6O2/c1-3-5-21-17-32(25-22(4-2)30-23(16-29-25)24(28)34)14-15-33(21)20-10-12-31(13-11-20)26(35)18-6-8-19(27)9-7-18/h6-9,16,20-21H,3-5,10-15,17H2,1-2H3,(H2,28,34)/t21-/m0/s1
InChIKeyKNCCTEDYYZWWEQ-NRFANRHFSA-N
MW499.06 g/mol
LogP3.39
Rot. Bonds7

About 5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propylpiperazin-1-yl]-6-ethylpyrazine-2-carboxamide

5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propylpiperazin-1-yl]-6-ethylpyrazine-2-carboxamide (PubChem CID 163715637) has the molecular formula C26H35ClN6O2 and a molecular weight of 499.06 g/mol. Its IUPAC name is 5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propylpiperazin-1-yl]-6-ethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propylpiperazin-1-yl]-6-ethylpyrazine-2-carboxamide
PubChem CID163715637
Molecular FormulaC26H35ClN6O2
Molecular Weight499.06 g/mol
Exact Mass498.25
IUPAC Name5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propylpiperazin-1-yl]-6-ethylpyrazine-2-carboxamide
SMILESCCC[C@H]1CN(c2ncc(C(N)=O)nc2CC)CCN1C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H35ClN6O2/c1-3-5-21-17-32(25-22(4-2)30-23(16-29-25)24(28)34)14-15-33(21)20-10-12-31(13-11-20)26(35)18-6-8-19(27)9-7-18/h6-9,16,20-21H,3-5,10-15,17H2,1-2H3,(H2,28,34)/t21-/m0/s1
InChIKeyKNCCTEDYYZWWEQ-NRFANRHFSA-N
XLogP3.39
TPSA95.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.06
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-chloro-5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propylpiperazin-1-yl]-N-ethylpyrazine-2-carboxamide
CID 147111366
(4-chlorophenyl)-[4-[2-ethyl-4-[3-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
CID 73173216
(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[5-(1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
CID 58768037
[4-[(2S)-4-[5-(1H-benzimidazol-2-yl)-3-methylpyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone
CID 58768028
(4-bromophenyl)-[4-[(2S)-4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone
CID 59427695
[4-[(2S)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone
CID 11995839
(2-amino-6-chloro-5-fluoro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-propylpiperazin-1-yl]piperidin-1-yl]methanone
CID 163857126
3-amino-5-[(3S)-4-[1-(3-amino-5-methylpyrazine-2-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloropyrazine-2-carboxamide
CID 58767306
4-[4-[(2S)-4-[3-chloro-5-[1-(4-cyanobenzoyl)imidazolidin-2-yl]-2-pyridinyl]-2-ethylpiperazin-1-yl]piperidine-1-carbonyl]benzonitrile
CID 143279144
[4-[(2S)-4-[6-amino-5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-aminophenyl)methanone
CID 88982043
[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone;4-chlorobenzoyl chloride;5-chloro-6-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
CID 161154263
(2-amino-6-chloro-3-pyridinyl)-[4-[2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
CID 73173019

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propylpiperazin-1-yl]-6-ethylpyrazine-2-carboxamide?
The IUPAC name of 5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propylpiperazin-1-yl]-6-ethylpyrazine-2-carboxamide (CID 163715637) is 5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propylpiperazin-1-yl]-6-ethylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propylpiperazin-1-yl]-6-ethylpyrazine-2-carboxamide?
The canonical SMILES for 5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propylpiperazin-1-yl]-6-ethylpyrazine-2-carboxamide is CCC[C@H]1CN(c2ncc(C(N)=O)nc2CC)CCN1C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propylpiperazin-1-yl]-6-ethylpyrazine-2-carboxamide?
The InChIKey is KNCCTEDYYZWWEQ-NRFANRHFSA-N. The full InChI is InChI=1S/C26H35ClN6O2/c1-3-5-21-17-32(25-22(4-2)30-23(16-29-25)24(28)34)14-15-33(21)20-10-12-31(13-11-20)26(35)18-6-8-19(27)9-7-18/h6-9,16,20-21H,3-5,10-15,17H2,1-2H3,(H2,28,34)/t21-/m0/s1.
What are the key properties of 5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propylpiperazin-1-yl]-6-ethylpyrazine-2-carboxamide?
5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propylpiperazin-1-yl]-6-ethylpyrazine-2-carboxamide has a molecular weight of 499.06 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propylpiperazin-1-yl]-6-ethylpyrazine-2-carboxamide is sourced from PubChem (CID 163715637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).