4-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide

C16H31N3O2 — CID 119487968

IUPAC4-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)CCC(=O)N1CCCC(NC)C1
InChIInChI=1S/C16H31N3O2/c1-4-10-18(11-5-2)15(20)8-9-16(21)19-12-6-7-14(13-19)17-3/h14,17H,4-13H2,1-3H3
InChIKeyUBOUKHJPWKFOHI-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.63
Rot. Bonds8

About 4-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide

4-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide (PubChem CID 119487968) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide.

Molecular Properties

Compound Name4-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide
PubChem CID119487968
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name4-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)CCC(=O)N1CCCC(NC)C1
InChIInChI=1S/C16H31N3O2/c1-4-10-18(11-5-2)15(20)8-9-16(21)19-12-6-7-14(13-19)17-3/h14,17H,4-13H2,1-3H3
InChIKeyUBOUKHJPWKFOHI-UHFFFAOYSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide
CID 119483572
1-[3-(methylamino)piperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione;hydrochloride
CID 119493333
1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119492016
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211
3-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119260323
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
N-methyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide
CID 119489915
5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 119542393
2-butoxy-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119489315
N,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide
CID 119493899
(3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 172646385

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide?
The IUPAC name of 4-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide (CID 119487968) is 4-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide.
What is the SMILES notation for 4-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide?
The canonical SMILES for 4-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide is CCCN(CCC)C(=O)CCC(=O)N1CCCC(NC)C1.
What is the InChIKey of 4-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide?
The InChIKey is UBOUKHJPWKFOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-10-18(11-5-2)15(20)8-9-16(21)19-12-6-7-14(13-19)17-3/h14,17H,4-13H2,1-3H3.
What are the key properties of 4-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide?
4-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide has a molecular weight of 297.44 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-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide is sourced from PubChem (CID 119487968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).