1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide

C16H30N4O3 — CID 87036409

IUPAC1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCCC(C)NC(=O)CCNC(=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C16H30N4O3/c1-5-12(2)18-14(21)6-9-17-16(23)20-10-7-13(8-11-20)15(22)19(3)4/h12-13H,5-11H2,1-4H3,(H,17,23)(H,18,21)
InChIKeyLYDYTUNORVHOQF-UHFFFAOYSA-N
MW326.44 g/mol
LogP0.80
Rot. Bonds6

About 1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide

1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 87036409) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID87036409
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCCC(C)NC(=O)CCNC(=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C16H30N4O3/c1-5-12(2)18-14(21)6-9-17-16(23)20-10-7-13(8-11-20)15(22)19(3)4/h12-13H,5-11H2,1-4H3,(H,17,23)(H,18,21)
InChIKeyLYDYTUNORVHOQF-UHFFFAOYSA-N
XLogP0.80
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 113225849
2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid
CID 116683202
4-N,4-N-diethyl-1-N-[3-oxo-3-(propylamino)propyl]piperidine-1,4-dicarboxamide
CID 86870828
N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide
CID 115583768
ethyl 1-[N-[3-(butan-2-ylamino)-3-oxopropyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111156289
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide
CID 54901207
N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-4-carboxamide
CID 54901063
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79192929
1-butan-2-yl-N,N-dimethylpiperidine-4-carboxamide
CID 154662665
1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 79024849
1-(4-hydroxypentanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 79200487
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide (CID 87036409) is 1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide is CCC(C)NC(=O)CCNC(=O)N1CCC(C(=O)N(C)C)CC1.
What is the InChIKey of 1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is LYDYTUNORVHOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-5-12(2)18-14(21)6-9-17-16(23)20-10-7-13(8-11-20)15(22)19(3)4/h12-13H,5-11H2,1-4H3,(H,17,23)(H,18,21).
What are the key properties of 1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide?
1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 326.44 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 87036409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).