3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one

C16H29N3O2 — CID 62212540

IUPAC3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
SMILESCCC(=O)N1CCCN(C(=O)CCC2CCNCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-2-15(20)18-10-3-11-19(13-12-18)16(21)5-4-14-6-8-17-9-7-14/h14,17H,2-13H2,1H3
InChIKeyQFMVSVSGKBHXLK-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.24
Rot. Bonds4

About 3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one

3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one (PubChem CID 62212540) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
PubChem CID62212540
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
SMILESCCC(=O)N1CCCN(C(=O)CCC2CCNCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-2-15(20)18-10-3-11-19(13-12-18)16(21)5-4-14-6-8-17-9-7-14/h14,17H,2-13H2,1H3
InChIKeyQFMVSVSGKBHXLK-UHFFFAOYSA-N
XLogP1.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103876554
1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62210402
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
N-[1-(3-piperidin-4-ylpropanoyl)piperidin-4-yl]propanamide
CID 62210567
1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 114236984
1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62212438
3-cyclohexyl-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 119300396
methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate
CID 62212418
(3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid
CID 81125925
1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 62210226
1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 107392526
4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid
CID 67493280

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one?
The IUPAC name of 3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one (CID 62212540) is 3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one.
What is the SMILES notation for 3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one?
The canonical SMILES for 3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one is CCC(=O)N1CCCN(C(=O)CCC2CCNCC2)CC1.
What is the InChIKey of 3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one?
The InChIKey is QFMVSVSGKBHXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-2-15(20)18-10-3-11-19(13-12-18)16(21)5-4-14-6-8-17-9-7-14/h14,17H,2-13H2,1H3.
What are the key properties of 3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one?
3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one has a molecular weight of 295.43 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one is sourced from PubChem (CID 62212540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).