(3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide

C23H31FN2O2 — CID 93001653

IUPAC(3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
SMILESCc1cc([C@H]2CC[C@@H](C(=O)NCC3CC3)CN2C(=O)C2CCCC2)ccc1F
InChIInChI=1S/C23H31FN2O2/c1-15-12-18(8-10-20(15)24)21-11-9-19(22(27)25-13-16-6-7-16)14-26(21)23(28)17-4-2-3-5-17/h8,10,12,16-17,19,21H,2-7,9,11,13-14H2,1H3,(H,25,27)/t19-,21-/m1/s1
InChIKeyGFXRZLBSFQYDMI-TZIWHRDSSA-N
MW386.51 g/mol
LogP4.13
Rot. Bonds5

About (3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide

(3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide (PubChem CID 93001653) has the molecular formula C23H31FN2O2 and a molecular weight of 386.51 g/mol. Its IUPAC name is (3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
PubChem CID93001653
Molecular FormulaC23H31FN2O2
Molecular Weight386.51 g/mol
Exact Mass386.24
IUPAC Name(3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
SMILESCc1cc([C@H]2CC[C@@H](C(=O)NCC3CC3)CN2C(=O)C2CCCC2)ccc1F
InChIInChI=1S/C23H31FN2O2/c1-15-12-18(8-10-20(15)24)21-11-9-19(22(27)25-13-16-6-7-16)14-26(21)23(28)17-4-2-3-5-17/h8,10,12,16-17,19,21H,2-7,9,11,13-14H2,1H3,(H,25,27)/t19-,21-/m1/s1
InChIKeyGFXRZLBSFQYDMI-TZIWHRDSSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 42870408
(3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid
CID 92996555
(3S,6S)-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996779
1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 42866436
(3S,6R)-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92996775
cyclopropyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone
CID 71955059
(3R,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328136
(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328137
1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 42866482
1-acetyl-6-(4-fluoro-3-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 46067533
1-N-butyl-6-(4-fluoro-3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 46067622
N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide
CID 71955058

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide (CID 93001653) is (3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide is Cc1cc([C@H]2CC[C@@H](C(=O)NCC3CC3)CN2C(=O)C2CCCC2)ccc1F.
What is the InChIKey of (3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is GFXRZLBSFQYDMI-TZIWHRDSSA-N. The full InChI is InChI=1S/C23H31FN2O2/c1-15-12-18(8-10-20(15)24)21-11-9-19(22(27)25-13-16-6-7-16)14-26(21)23(28)17-4-2-3-5-17/h8,10,12,16-17,19,21H,2-7,9,11,13-14H2,1H3,(H,25,27)/t19-,21-/m1/s1.
What are the key properties of (3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide?
(3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 386.51 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 93001653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).