N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide

C20H30N2O2 — CID 166191503

IUPACN-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C20H30N2O2/c23-20(12-15-24-19-8-2-1-3-9-19)21-18-10-13-22(14-11-18)16-17-6-4-5-7-17/h1-3,8-9,17-18H,4-7,10-16H2,(H,21,23)
InChIKeyWWTWRMQTOWXPER-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.23
Rot. Bonds7

About N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide

N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide (PubChem CID 166191503) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
PubChem CID166191503
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C20H30N2O2/c23-20(12-15-24-19-8-2-1-3-9-19)21-18-10-13-22(14-11-18)16-17-6-4-5-7-17/h1-3,8-9,17-18H,4-7,10-16H2,(H,21,23)
InChIKeyWWTWRMQTOWXPER-UHFFFAOYSA-N
XLogP3.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide
CID 51127778
N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 63627698
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
N-cyclopropyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 34188101
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide
CID 108554888
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
N-(3-aminocyclobutyl)-3-phenoxypropanamide
CID 43595119
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide
CID 45200396
3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
CID 118780415

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide?
The IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide (CID 166191503) is N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NC1CCN(CC2CCCC2)CC1.
What is the InChIKey of N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide?
The InChIKey is WWTWRMQTOWXPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-20(12-15-24-19-8-2-1-3-9-19)21-18-10-13-22(14-11-18)16-17-6-4-5-7-17/h1-3,8-9,17-18H,4-7,10-16H2,(H,21,23).
What are the key properties of N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide?
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide has a molecular weight of 330.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide is sourced from PubChem (CID 166191503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).