4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one

C15H27N3O — CID 106639774

IUPAC4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one
SMILESO=C1CC(N(CC2CCCNC2)C2CC2)CCCN1
InChIInChI=1S/C15H27N3O/c19-15-9-14(4-2-8-17-15)18(13-5-6-13)11-12-3-1-7-16-10-12/h12-14,16H,1-11H2,(H,17,19)
InChIKeyHCDUZOPIXOBWHQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.12
Rot. Bonds4

About 4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one

4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one (PubChem CID 106639774) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one.

Molecular Properties

Compound Name4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one
PubChem CID106639774
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one
SMILESO=C1CC(N(CC2CCCNC2)C2CC2)CCCN1
InChIInChI=1S/C15H27N3O/c19-15-9-14(4-2-8-17-15)18(13-5-6-13)11-12-3-1-7-16-10-12/h12-14,16H,1-11H2,(H,17,19)
InChIKeyHCDUZOPIXOBWHQ-UHFFFAOYSA-N
XLogP1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one
CID 63889082
4-[ethyl(piperidin-4-yl)amino]azepan-2-one
CID 63886911
N-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine
CID 104870090
N-cyclopropyl-N-(piperidin-3-ylmethyl)spiro[4.5]decan-8-amine
CID 106624955
N-cyclopropyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624960
ethyl 2-[cyclopropyl-(2-oxoazepan-4-yl)amino]acetate
CID 63887111
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038
N-cyclopropyl-N-(piperidin-4-ylmethyl)cyclobutanamine
CID 79716019
N-cyclopropyl-2,5-dimethyl-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 106624758
N-cyclopropyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106631170
3-[cyclopropyl(piperidin-4-ylmethyl)amino]azepan-2-one
CID 79714119
1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629978

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one?
The IUPAC name of 4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one (CID 106639774) is 4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one.
What is the SMILES notation for 4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one?
The canonical SMILES for 4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one is O=C1CC(N(CC2CCCNC2)C2CC2)CCCN1.
What is the InChIKey of 4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one?
The InChIKey is HCDUZOPIXOBWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c19-15-9-14(4-2-8-17-15)18(13-5-6-13)11-12-3-1-7-16-10-12/h12-14,16H,1-11H2,(H,17,19).
What are the key properties of 4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one?
4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one has a molecular weight of 265.40 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one is sourced from PubChem (CID 106639774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).