1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide

C19H27ClN2O2 — CID 124754889

IUPAC1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide
SMILESO=C(NCCCN1CCCC[C@@H]1CO)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H27ClN2O2/c20-16-7-5-15(6-8-16)19(9-10-19)18(24)21-11-3-13-22-12-2-1-4-17(22)14-23/h5-8,17,23H,1-4,9-14H2,(H,21,24)/t17-/m1/s1
InChIKeyPCFKFYRFAQRSNM-QGZVFWFLSA-N
MW350.89 g/mol
LogP2.72
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide (PubChem CID 124754889) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide
PubChem CID124754889
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide
SMILESO=C(NCCCN1CCCC[C@@H]1CO)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H27ClN2O2/c20-16-7-5-15(6-8-16)19(9-10-19)18(24)21-11-3-13-22-12-2-1-4-17(22)14-23/h5-8,17,23H,1-4,9-14H2,(H,21,24)/t17-/m1/s1
InChIKeyPCFKFYRFAQRSNM-QGZVFWFLSA-N
XLogP2.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]urea
CID 95763323
[1-(4-chlorophenyl)cyclopropyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636296
1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide
CID 47036265
1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide
CID 86985105
N-(2-aminoethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119382939
4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide
CID 126449328
1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62035218
2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide
CID 132762741
N-but-3-ynyl-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 90537906
1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362498
1-(4-fluoro-3-methoxyphenyl)-3-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]urea
CID 97455332
1-(4-chlorophenyl)-N-(3-cyclopropyl-3-hydroxypropyl)cyclopentane-1-carboxamide
CID 71787479

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide (CID 124754889) is 1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide is O=C(NCCCN1CCCC[C@@H]1CO)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide?
The InChIKey is PCFKFYRFAQRSNM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c20-16-7-5-15(6-8-16)19(9-10-19)18(24)21-11-3-13-22-12-2-1-4-17(22)14-23/h5-8,17,23H,1-4,9-14H2,(H,21,24)/t17-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide has a molecular weight of 350.89 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 124754889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).