(2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide

C18H20N4O2 — CID 125001348

IUPAC(2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
SMILESNC(=O)[C@@H]1CN(C(=O)c2cccnc2)CCN1Cc1ccccc1
InChIInChI=1S/C18H20N4O2/c19-17(23)16-13-22(18(24)15-7-4-8-20-11-15)10-9-21(16)12-14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2,(H2,19,23)/t16-/m0/s1
InChIKeySCPZEFBRVZJABR-INIZCTEOSA-N
MW324.38 g/mol
LogP0.89
Rot. Bonds4

About (2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide

(2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide (PubChem CID 125001348) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
PubChem CID125001348
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
SMILESNC(=O)[C@@H]1CN(C(=O)c2cccnc2)CCN1Cc1ccccc1
InChIInChI=1S/C18H20N4O2/c19-17(23)16-13-22(18(24)15-7-4-8-20-11-15)10-9-21(16)12-14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2,(H2,19,23)/t16-/m0/s1
InChIKeySCPZEFBRVZJABR-INIZCTEOSA-N
XLogP0.89
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
CID 124944737
(2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide
CID 95811288
[(4aR,7aS)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyridin-3-ylmethanone
CID 98793062
[(4aS,7aR)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyridin-3-ylmethanone
CID 97082335
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 96578140
[(3S)-4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 95476877
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide (CID 125001348) is (2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide is NC(=O)[C@@H]1CN(C(=O)c2cccnc2)CCN1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
The InChIKey is SCPZEFBRVZJABR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-17(23)16-13-22(18(24)15-7-4-8-20-11-15)10-9-21(16)12-14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2,(H2,19,23)/t16-/m0/s1.
What are the key properties of (2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
(2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 125001348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).