N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide

C14H25N3O2 — CID 114424240

IUPACN-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCCCC(=O)NC2CC2)C1
InChIInChI=1S/C14H25N3O2/c1-10-6-8-15-12(9-10)14(19)16-7-2-3-13(18)17-11-4-5-11/h10-12,15H,2-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyFPJULIGWHFWZDV-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.55
Rot. Bonds6

About N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide

N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide (PubChem CID 114424240) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide
PubChem CID114424240
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCCCC(=O)NC2CC2)C1
InChIInChI=1S/C14H25N3O2/c1-10-6-8-15-12(9-10)14(19)16-7-2-3-13(18)17-11-4-5-11/h10-12,15H,2-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyFPJULIGWHFWZDV-UHFFFAOYSA-N
XLogP0.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide
CID 79401002
N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide
CID 114424437
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide
CID 114423872
N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide
CID 79401380
4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide
CID 106186997
N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide
CID 114424559
4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 114424090
N-[4-(cyclopropylamino)-4-oxobutyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 79377074
N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide
CID 107437023
4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide
CID 114422620
N-[1-(4-methylpiperidine-2-carbonyl)piperidin-4-yl]butanamide
CID 114423431

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide (CID 114424240) is N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)NCCCC(=O)NC2CC2)C1.
What is the InChIKey of N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide?
The InChIKey is FPJULIGWHFWZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10-6-8-15-12(9-10)14(19)16-7-2-3-13(18)17-11-4-5-11/h10-12,15H,2-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide?
N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114424240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).