(2S)-N-methyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide

C15H24N4O — CID 124807912

IUPAC(2S)-N-methyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2ccncc2)CCN1C(C)C
InChIInChI=1S/C15H24N4O/c1-12(2)19-9-8-18(11-14(19)15(20)16-3)10-13-4-6-17-7-5-13/h4-7,12,14H,8-11H2,1-3H3,(H,16,20)/t14-/m0/s1
InChIKeySAFFMICMSMZWLR-AWEZNQCLSA-N
MW276.38 g/mol
LogP0.72
Rot. Bonds4

About (2S)-N-methyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide

(2S)-N-methyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide (PubChem CID 124807912) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-N-methyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide
PubChem CID124807912
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(2S)-N-methyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2ccncc2)CCN1C(C)C
InChIInChI=1S/C15H24N4O/c1-12(2)19-9-8-18(11-14(19)15(20)16-3)10-13-4-6-17-7-5-13/h4-7,12,14H,8-11H2,1-3H3,(H,16,20)/t14-/m0/s1
InChIKeySAFFMICMSMZWLR-AWEZNQCLSA-N
XLogP0.72
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 98677649
(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 125020372
(2S)-4-benzyl-N-methyl-1-pyrimidin-2-ylpiperazine-2-carboxamide
CID 95826161
N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 110086048
N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-3-yl]ethanamine
CID 63854795
4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide
CID 110086108
(2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide
CID 124946415
N-propan-2-yl-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide
CID 158088194
4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide
CID 175656886
N-[(4S,5S)-5-hydroxy-1-(pyridin-4-ylmethyl)azepan-4-yl]-2-methylpropanamide
CID 110126651
N-methyl-4-propan-2-yl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide
CID 110086083
(5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895982

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide (CID 124807912) is (2S)-N-methyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide is CNC(=O)[C@@H]1CN(Cc2ccncc2)CCN1C(C)C.
What is the InChIKey of (2S)-N-methyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The InChIKey is SAFFMICMSMZWLR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(2)19-9-8-18(11-14(19)15(20)16-3)10-13-4-6-17-7-5-13/h4-7,12,14H,8-11H2,1-3H3,(H,16,20)/t14-/m0/s1.
What are the key properties of (2S)-N-methyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
(2S)-N-methyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 124807912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).