4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide

C19H22ClN5O2 — CID 52899872

IUPAC4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccncc1
InChIInChI=1S/C19H22ClN5O2/c1-14(18(26)23-16-5-7-21-8-6-16)22-19(27)25-11-9-24(10-12-25)17-4-2-3-15(20)13-17/h2-8,13-14H,9-12H2,1H3,(H,22,27)(H,21,23,26)/t14-/m0/s1
InChIKeyYCCBQVIDOZHYGG-AWEZNQCLSA-N
MW387.87 g/mol
LogP2.59
Rot. Bonds4

About 4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide

4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide (PubChem CID 52899872) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
PubChem CID52899872
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccncc1
InChIInChI=1S/C19H22ClN5O2/c1-14(18(26)23-16-5-7-21-8-6-16)22-19(27)25-11-9-24(10-12-25)17-4-2-3-15(20)13-17/h2-8,13-14H,9-12H2,1H3,(H,22,27)(H,21,23,26)/t14-/m0/s1
InChIKeyYCCBQVIDOZHYGG-AWEZNQCLSA-N
XLogP2.59
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395003
4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 52899538
4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
CID 33433718
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 52900101
N-[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-4-(4-chlorophenyl)piperazine-1-carboxamide
CID 71691696
N-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-4-(4-chlorophenyl)piperazine-1-carboxamide
CID 97267720
N-[(2S)-1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52897814
4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 97038502
4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide
CID 53368553
4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide
CID 41355861
N-[(2S)-1-[(3-chlorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52897823
methyl 2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate
CID 3957217

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide (CID 52899872) is 4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide is C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccncc1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is YCCBQVIDOZHYGG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-14(18(26)23-16-5-7-21-8-6-16)22-19(27)25-11-9-24(10-12-25)17-4-2-3-15(20)13-17/h2-8,13-14H,9-12H2,1H3,(H,22,27)(H,21,23,26)/t14-/m0/s1.
What are the key properties of 4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 52899872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).