N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide

C19H23N5O2 — CID 95395341

IUPACN-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccccn1
InChIInChI=1S/C19H23N5O2/c1-15(18(25)22-17-9-5-6-10-20-17)21-19(26)24-13-11-23(12-14-24)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,21,26)(H,20,22,25)/t15-/m1/s1
InChIKeyWSKYIUNPFMRIFX-OAHLLOKOSA-N
MW353.43 g/mol
LogP1.94
Rot. Bonds4

About N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide

N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide (PubChem CID 95395341) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
PubChem CID95395341
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccccn1
InChIInChI=1S/C19H23N5O2/c1-15(18(25)22-17-9-5-6-10-20-17)21-19(26)24-13-11-23(12-14-24)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,21,26)(H,20,22,25)/t15-/m1/s1
InChIKeyWSKYIUNPFMRIFX-OAHLLOKOSA-N
XLogP1.94
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 96564267
N-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95394943
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52902639
N-[(2S)-1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52897814
N-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395003
N-[(2R)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95394965
N-[(2R)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395725
N-[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 53371206
N-[(2S)-1-oxo-1-(3,4,5-trimethoxyanilino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829736
4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267011
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53368538

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide (CID 95395341) is N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide is C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccccn1.
What is the InChIKey of N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is WSKYIUNPFMRIFX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-15(18(25)22-17-9-5-6-10-20-17)21-19(26)24-13-11-23(12-14-24)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,21,26)(H,20,22,25)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide?
N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 95395341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).