1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid

C19H25FN2O3 — CID 122006228

IUPAC1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NC(c2cccc(F)c2)C2CCCC2)CC1
InChIInChI=1S/C19H25FN2O3/c20-16-7-3-6-15(12-16)17(13-4-1-2-5-13)21-19(25)22-10-8-14(9-11-22)18(23)24/h3,6-7,12-14,17H,1-2,4-5,8-11H2,(H,21,25)(H,23,24)
InChIKeyHDTSUGQOPVLROU-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.56
Rot. Bonds4

About 1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid

1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122006228) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122006228
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NC(c2cccc(F)c2)C2CCCC2)CC1
InChIInChI=1S/C19H25FN2O3/c20-16-7-3-6-15(12-16)17(13-4-1-2-5-13)21-19(25)22-10-8-14(9-11-22)18(23)24/h3,6-7,12-14,17H,1-2,4-5,8-11H2,(H,21,25)(H,23,24)
InChIKeyHDTSUGQOPVLROU-UHFFFAOYSA-N
XLogP3.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 3912751
(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118979
(3S)-1-N-[(S)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118978
1-[[(4-chlorophenyl)-cyclopentylmethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000934
4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide
CID 47016173
1-[[cyclobutyl-(4-fluorophenyl)methyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000877
N-[cyclopentyl-(3-fluorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119810349
N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
CID 86880652
ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60551232
N-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 41256126
1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid
CID 124703729
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438322

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid (CID 122006228) is 1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NC(c2cccc(F)c2)C2CCCC2)CC1.
What is the InChIKey of 1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is HDTSUGQOPVLROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c20-16-7-3-6-15(12-16)17(13-4-1-2-5-13)21-19(25)22-10-8-14(9-11-22)18(23)24/h3,6-7,12-14,17H,1-2,4-5,8-11H2,(H,21,25)(H,23,24).
What are the key properties of 1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 348.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122006228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).