(3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide

C19H28N4O2 — CID 97094091

IUPAC(3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide
SMILESC[C@H]1CN(C)CCN1C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1
InChIInChI=1S/C19H28N4O2/c1-14-12-21(2)10-11-23(14)19(25)15-5-7-17(8-6-15)22-9-3-4-16(13-22)18(20)24/h5-8,14,16H,3-4,9-13H2,1-2H3,(H2,20,24)/t14-,16-/m0/s1
InChIKeyWCBKWCYJYYWTCZ-HOCLYGCPSA-N
MW344.46 g/mol
LogP1.16
Rot. Bonds3

About (3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide

(3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide (PubChem CID 97094091) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide
PubChem CID97094091
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide
SMILESC[C@H]1CN(C)CCN1C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1
InChIInChI=1S/C19H28N4O2/c1-14-12-21(2)10-11-23(14)19(25)15-5-7-17(8-6-15)22-9-3-4-16(13-22)18(20)24/h5-8,14,16H,3-4,9-13H2,1-2H3,(H2,20,24)/t14-,16-/m0/s1
InChIKeyWCBKWCYJYYWTCZ-HOCLYGCPSA-N
XLogP1.16
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 97094095
1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide
CID 138998650
1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide
CID 56799433
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
(3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 94467987
[(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone
CID 97094088
(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide
CID 33114657
(3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide
CID 94640128
2-propan-2-yloxyethyl 4-[(3S)-3-carbamoylpiperidin-1-yl]benzoate
CID 94501750
(3,4-dihydroxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103957022
1-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 117008258
(3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103814619

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide (CID 97094091) is (3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide is C[C@H]1CN(C)CCN1C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1.
What is the InChIKey of (3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide?
The InChIKey is WCBKWCYJYYWTCZ-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14-12-21(2)10-11-23(14)19(25)15-5-7-17(8-6-15)22-9-3-4-16(13-22)18(20)24/h5-8,14,16H,3-4,9-13H2,1-2H3,(H2,20,24)/t14-,16-/m0/s1.
What are the key properties of (3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide?
(3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 97094091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).