N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide

C19H28N4O2 — CID 52902639

IUPACN-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NC1CCCC1
InChIInChI=1S/C19H28N4O2/c1-15(18(24)21-16-7-5-6-8-16)20-19(25)23-13-11-22(12-14-23)17-9-3-2-4-10-17/h2-4,9-10,15-16H,5-8,11-14H2,1H3,(H,20,25)(H,21,24)/t15-/m0/s1
InChIKeyMTKJICPISDVFGQ-HNNXBMFYSA-N
MW344.46 g/mol
LogP1.97
Rot. Bonds4

About N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide

N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide (PubChem CID 52902639) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
PubChem CID52902639
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NC1CCCC1
InChIInChI=1S/C19H28N4O2/c1-15(18(24)21-16-7-5-6-8-16)20-19(25)23-13-11-22(12-14-23)17-9-3-2-4-10-17/h2-4,9-10,15-16H,5-8,11-14H2,1H3,(H,20,25)(H,21,24)/t15-/m0/s1
InChIKeyMTKJICPISDVFGQ-HNNXBMFYSA-N
XLogP1.97
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 858165
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CID 71829787
(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250310
N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395341
N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 96564267
N-[(2S)-1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52897814
N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52899407
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 116657686
N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide
CID 15636959
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide
CID 86831167
N-[(2R)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95394965
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 94975757

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide (CID 52902639) is N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide is C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NC1CCCC1.
What is the InChIKey of N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is MTKJICPISDVFGQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15(18(24)21-16-7-5-6-8-16)20-19(25)23-13-11-22(12-14-23)17-9-3-2-4-10-17/h2-4,9-10,15-16H,5-8,11-14H2,1H3,(H,20,25)(H,21,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide?
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 52902639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).