(3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide

C17H26N2O3 — CID 164637886

IUPAC(3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide
SMILESCc1ccoc1CNC(=O)N1CC[C@H](O)[C@@H](C2CCCC2)C1
InChIInChI=1S/C17H26N2O3/c1-12-7-9-22-16(12)10-18-17(21)19-8-6-15(20)14(11-19)13-4-2-3-5-13/h7,9,13-15,20H,2-6,8,10-11H2,1H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyYZAHFVIGRJTWIP-CABCVRRESA-N
MW306.41 g/mol
LogP2.67
Rot. Bonds3

About (3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide

(3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 164637886) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide
PubChem CID164637886
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide
SMILESCc1ccoc1CNC(=O)N1CC[C@H](O)[C@@H](C2CCCC2)C1
InChIInChI=1S/C17H26N2O3/c1-12-7-9-22-16(12)10-18-17(21)19-8-6-15(20)14(11-19)13-4-2-3-5-13/h7,9,13-15,20H,2-6,8,10-11H2,1H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyYZAHFVIGRJTWIP-CABCVRRESA-N
XLogP2.67
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 128682443
(3R,4R)-3-cyclopentyl-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 128683899
(8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 164638942
3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 136544363
3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide
CID 130597720
N-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 138049695
1-[3-ethyl-4-[(3-methylfuran-2-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 71927370
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 115653459
[(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone
CID 164629456
N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 115652214
tert-butyl 3-[1-[(3-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate
CID 103698909
[2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol
CID 111467057

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide (CID 164637886) is (3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide is Cc1ccoc1CNC(=O)N1CC[C@H](O)[C@@H](C2CCCC2)C1.
What is the InChIKey of (3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is YZAHFVIGRJTWIP-CABCVRRESA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-7-9-22-16(12)10-18-17(21)19-8-6-15(20)14(11-19)13-4-2-3-5-13/h7,9,13-15,20H,2-6,8,10-11H2,1H3,(H,18,21)/t14-,15+/m1/s1.
What are the key properties of (3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide?
(3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 164637886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).