4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide

C17H31N3O2 — CID 119625023

IUPAC4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide
SMILESCCN(CC)C(=O)CCC(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H31N3O2/c1-3-19(4-2)16(21)7-8-17(22)20-11-9-15(10-12-20)18-13-14-5-6-14/h14-15,18H,3-13H2,1-2H3
InChIKeyKKWDRFFMGWEPJE-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.63
Rot. Bonds8

About 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide

4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide (PubChem CID 119625023) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide
PubChem CID119625023
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide
SMILESCCN(CC)C(=O)CCC(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H31N3O2/c1-3-19(4-2)16(21)7-8-17(22)20-11-9-15(10-12-20)18-13-14-5-6-14/h14-15,18H,3-13H2,1-2H3
InChIKeyKKWDRFFMGWEPJE-UHFFFAOYSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride
CID 119546523
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
CID 119622312
3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one
CID 75436334
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone
CID 119622854
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one
CID 103209701
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-(4-methoxyphenyl)hexan-1-one;hydrochloride
CID 119622930
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methoxy-3-methylbutan-1-one
CID 103021623
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one
CID 119624807
1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
CID 114146739
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 81483865

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide?
The IUPAC name of 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide (CID 119625023) is 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide.
What is the SMILES notation for 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide?
The canonical SMILES for 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide is CCN(CC)C(=O)CCC(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide?
The InChIKey is KKWDRFFMGWEPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-3-19(4-2)16(21)7-8-17(22)20-11-9-15(10-12-20)18-13-14-5-6-14/h14-15,18H,3-13H2,1-2H3.
What are the key properties of 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide?
4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide has a molecular weight of 309.45 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide is sourced from PubChem (CID 119625023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).