N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide

C14H27N3O2 — CID 54871434

IUPACN-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)CCCNC(C)C
InChIInChI=1S/C14H27N3O2/c1-11(2)16-9-6-8-13(18)17-10-5-4-7-12(17)14(19)15-3/h11-12,16H,4-10H2,1-3H3,(H,15,19)
InChIKeyDOTVQCIJQCXQGT-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.89
Rot. Bonds6

About N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide

N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide (PubChem CID 54871434) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide
PubChem CID54871434
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)CCCNC(C)C
InChIInChI=1S/C14H27N3O2/c1-11(2)16-9-6-8-13(18)17-10-5-4-7-12(17)14(19)15-3/h11-12,16H,4-10H2,1-3H3,(H,15,19)
InChIKeyDOTVQCIJQCXQGT-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119736624
1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide
CID 107909408
N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 155261104
(2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide
CID 32599029
1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60949379
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953275
1-(2-cyclohexylpyrrolidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 60946958
ethane;5-methylhexan-2-one;(2S)-N-methyl-1-pentanoylpyrrolidine-2-carboxamide
CID 156846202
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-(propan-2-ylamino)butan-1-one
CID 61409599
1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61157681
N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide?
The IUPAC name of N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide (CID 54871434) is N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)CCCNC(C)C.
What is the InChIKey of N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide?
The InChIKey is DOTVQCIJQCXQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(2)16-9-6-8-13(18)17-10-5-4-7-12(17)14(19)15-3/h11-12,16H,4-10H2,1-3H3,(H,15,19).
What are the key properties of N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide?
N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide is sourced from PubChem (CID 54871434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).