N-[4-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-1-ylcyclohexane-1-carboxamide

C23H34N2O3 — CID 131919419

IUPACN-[4-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(OCC2CCCO2)cc1)C1(N2CCCCC2)CCCCC1
InChIInChI=1S/C23H34N2O3/c26-22(23(13-3-1-4-14-23)25-15-5-2-6-16-25)24-19-9-11-20(12-10-19)28-18-21-8-7-17-27-21/h9-12,21H,1-8,13-18H2,(H,24,26)
InChIKeyWCPJAXHIHUJGEU-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.37
Rot. Bonds6

About N-[4-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-1-ylcyclohexane-1-carboxamide

N-[4-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-1-ylcyclohexane-1-carboxamide (PubChem CID 131919419) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[4-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
PubChem CID131919419
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC NameN-[4-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(OCC2CCCO2)cc1)C1(N2CCCCC2)CCCCC1
InChIInChI=1S/C23H34N2O3/c26-22(23(13-3-1-4-14-23)25-15-5-2-6-16-25)24-19-9-11-20(12-10-19)28-18-21-8-7-17-27-21/h9-12,21H,1-8,13-18H2,(H,24,26)
InChIKeyWCPJAXHIHUJGEU-UHFFFAOYSA-N
XLogP4.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119283523
1-ethyl-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]cyclobutane-1-carboxamide
CID 95974545
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
CID 47251152
4-[[(2R)-oxolan-2-yl]methoxy]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 7824799
1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076597
2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735
2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821595
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid
CID 4957872
N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]cyclopropanecarboxamide
CID 4958027
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[4-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-1-ylcyclohexane-1-carboxamide (CID 131919419) is N-[4-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-1-ylcyclohexane-1-carboxamide is O=C(Nc1ccc(OCC2CCCO2)cc1)C1(N2CCCCC2)CCCCC1.
What is the InChIKey of N-[4-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is WCPJAXHIHUJGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c26-22(23(13-3-1-4-14-23)25-15-5-2-6-16-25)24-19-9-11-20(12-10-19)28-18-21-8-7-17-27-21/h9-12,21H,1-8,13-18H2,(H,24,26).
What are the key properties of N-[4-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
N-[4-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 131919419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).