[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone

C17H26N2O2 — CID 71896264

IUPAC[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(NC2CCCCCC2)CC1
InChIInChI=1S/C17H26N2O2/c20-17(16-8-5-13-21-16)19-11-9-15(10-12-19)18-14-6-3-1-2-4-7-14/h5,8,13-15,18H,1-4,6-7,9-12H2
InChIKeyQUJYWKDUUXTEQD-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.20
Rot. Bonds3

About [4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone

[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 71896264) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID71896264
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(NC2CCCCCC2)CC1
InChIInChI=1S/C17H26N2O2/c20-17(16-8-5-13-21-16)19-11-9-15(10-12-19)18-14-6-3-1-2-4-7-14/h5,8,13-15,18H,1-4,6-7,9-12H2
InChIKeyQUJYWKDUUXTEQD-UHFFFAOYSA-N
XLogP3.20
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988
azepan-1-yl(furan-2-yl)methanone
CID 5200992
3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030061
tert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate
CID 96538034
3-(cyclopentylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109013650
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46450591
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
N-[1-(furan-2-carbonyl)piperidin-4-yl]-1-phenylmethanesulfonamide
CID 110820123

Frequently Asked Questions

What is the IUPAC name of [4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone (CID 71896264) is [4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC(NC2CCCCCC2)CC1.
What is the InChIKey of [4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is QUJYWKDUUXTEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-17(16-8-5-13-21-16)19-11-9-15(10-12-19)18-14-6-3-1-2-4-7-14/h5,8,13-15,18H,1-4,6-7,9-12H2.
What are the key properties of [4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone?
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 71896264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).