1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride

C18H33ClN2O2 — CID 163326678

IUPAC1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCO1)C1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H32N2O2.ClH/c21-18(19-13-17-7-4-12-22-17)16-8-10-20(11-9-16)14-15-5-2-1-3-6-15;/h15-17H,1-14H2,(H,19,21);1H
InChIKeyKMTWRBZBDLTRSA-UHFFFAOYSA-N
MW344.93 g/mol
LogP3.00
Rot. Bonds5

About 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride

1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 163326678) has the molecular formula C18H33ClN2O2 and a molecular weight of 344.93 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID163326678
Molecular FormulaC18H33ClN2O2
Molecular Weight344.93 g/mol
Exact Mass344.22
IUPAC Name1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCO1)C1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H32N2O2.ClH/c21-18(19-13-17-7-4-12-22-17)16-8-10-20(11-9-16)14-15-5-2-1-3-6-15;/h15-17H,1-14H2,(H,19,21);1H
InChIKeyKMTWRBZBDLTRSA-UHFFFAOYSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.93
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 4131826
N-[[(2S)-oxolan-2-yl]methyl]-1-sulfamoylpiperidine-4-carboxamide
CID 95158485
4-N-cyclohexyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146083
1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 113003358
1-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 3148903
(3R)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748940
(3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748941
1-[(2-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163328027
4-(morpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 109146739
4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109145407
N-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide
CID 30869368
tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 41242425

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride (CID 163326678) is 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(NCC1CCCO1)C1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is KMTWRBZBDLTRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2.ClH/c21-18(19-13-17-7-4-12-22-17)16-8-10-20(11-9-16)14-15-5-2-1-3-6-15;/h15-17H,1-14H2,(H,19,21);1H.
What are the key properties of 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride?
1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 344.93 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 163326678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).