N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide

C21H32N2O2 — CID 86972360

IUPACN-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCCC1)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C21H32N2O2/c1-17(21(24)22-19-10-4-2-5-11-19)23-14-8-9-18(15-23)16-25-20-12-6-3-7-13-20/h3,6-7,12-13,17-19H,2,4-5,8-11,14-16H2,1H3,(H,22,24)
InChIKeyKNSRUIDTYKRXAN-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.61
Rot. Bonds6

About N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide

N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide (PubChem CID 86972360) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide
PubChem CID86972360
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCCC1)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C21H32N2O2/c1-17(21(24)22-19-10-4-2-5-11-19)23-14-8-9-18(15-23)16-25-20-12-6-3-7-13-20/h3,6-7,12-13,17-19H,2,4-5,8-11,14-16H2,1H3,(H,22,24)
InChIKeyKNSRUIDTYKRXAN-UHFFFAOYSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide
CID 86972166
(3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51500739
N-cyclopentyl-2-[3-(ethylaminomethyl)piperidin-1-yl]propanamide
CID 63849664
2-[3-(2-aminoethyl)piperidin-1-yl]-N-cyclopentylpropanamide
CID 63764074
(2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide
CID 124592872
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
N-cyclopropyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204430
2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid
CID 106813810
N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106586020
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
N-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide
CID 128947363
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide (CID 86972360) is N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide is CC(C(=O)NC1CCCCC1)N1CCCC(COc2ccccc2)C1.
What is the InChIKey of N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide?
The InChIKey is KNSRUIDTYKRXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-17(21(24)22-19-10-4-2-5-11-19)23-14-8-9-18(15-23)16-25-20-12-6-3-7-13-20/h3,6-7,12-13,17-19H,2,4-5,8-11,14-16H2,1H3,(H,22,24).
What are the key properties of N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide?
N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide has a molecular weight of 344.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 86972360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).