(3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide

C19H30N2O3 — CID 95119803

IUPAC(3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
SMILESO=C([C@H]1CCCN(C2CCCCC2)C1)N(CCO)Cc1ccco1
InChIInChI=1S/C19H30N2O3/c22-12-11-21(15-18-9-5-13-24-18)19(23)16-6-4-10-20(14-16)17-7-2-1-3-8-17/h5,9,13,16-17,22H,1-4,6-8,10-12,14-15H2/t16-/m0/s1
InChIKeyQTSDGSYFSLGQBO-INIZCTEOSA-N
MW334.46 g/mol
LogP2.65
Rot. Bonds6

About (3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide

(3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide (PubChem CID 95119803) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is (3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
PubChem CID95119803
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name(3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
SMILESO=C([C@H]1CCCN(C2CCCCC2)C1)N(CCO)Cc1ccco1
InChIInChI=1S/C19H30N2O3/c22-12-11-21(15-18-9-5-13-24-18)19(23)16-6-4-10-20(14-16)17-7-2-1-3-8-17/h5,9,13,16-17,22H,1-4,6-8,10-12,14-15H2/t16-/m0/s1
InChIKeyQTSDGSYFSLGQBO-INIZCTEOSA-N
XLogP2.65
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
CID 74247687
N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-1-(oxan-4-yl)piperidine-4-carboxamide
CID 74234608
(3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide
CID 26320461
1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
CID 131895344
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid
CID 82323935
(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 97135426
(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 97135425
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 42703541
(3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 51933773

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide (CID 95119803) is (3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide is O=C([C@H]1CCCN(C2CCCCC2)C1)N(CCO)Cc1ccco1.
What is the InChIKey of (3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide?
The InChIKey is QTSDGSYFSLGQBO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N2O3/c22-12-11-21(15-18-9-5-13-24-18)19(23)16-6-4-10-20(14-16)17-7-2-1-3-8-17/h5,9,13,16-17,22H,1-4,6-8,10-12,14-15H2/t16-/m0/s1.
What are the key properties of (3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide?
(3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95119803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).