(2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide

C16H27N3O3 — CID 32599029

IUPAC(2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCCN1C(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C16H27N3O3/c1-17-16(22)13-8-4-5-11-19(13)14(20)9-10-18-15(21)12-6-2-3-7-12/h12-13H,2-11H2,1H3,(H,17,22)(H,18,21)/t13-/m0/s1
InChIKeyLTBWSEXFGJIVTG-ZDUSSCGKSA-N
MW309.41 g/mol
LogP0.81
Rot. Bonds5

About (2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide

(2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide (PubChem CID 32599029) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide
PubChem CID32599029
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name(2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCCN1C(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C16H27N3O3/c1-17-16(22)13-8-4-5-11-19(13)14(20)9-10-18-15(21)12-6-2-3-7-12/h12-13H,2-11H2,1H3,(H,17,22)(H,18,21)/t13-/m0/s1
InChIKeyLTBWSEXFGJIVTG-ZDUSSCGKSA-N
XLogP0.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide
CID 107909408
N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide
CID 54871434
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119736624
(2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 66262991
1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid
CID 43355950
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60949379
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide
CID 78986673
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 155261104
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide (CID 32599029) is (2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide is CNC(=O)[C@@H]1CCCCN1C(=O)CCNC(=O)C1CCCC1.
What is the InChIKey of (2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is LTBWSEXFGJIVTG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-17-16(22)13-8-4-5-11-19(13)14(20)9-10-18-15(21)12-6-2-3-7-12/h12-13H,2-11H2,1H3,(H,17,22)(H,18,21)/t13-/m0/s1.
What are the key properties of (2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide?
(2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 32599029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).