(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide

C18H26FN3O2 — CID 99826576

IUPAC(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(F)c1NC(=O)N1CC[C@@H](CN2CCCCC2)C1
InChIInChI=1S/C18H26FN3O2/c1-24-16-7-5-6-15(19)17(16)20-18(23)22-11-8-14(13-22)12-21-9-3-2-4-10-21/h5-7,14H,2-4,8-13H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyPBHNCLKXHBKMGS-AWEZNQCLSA-N
MW335.42 g/mol
LogP3.17
Rot. Bonds4

About (3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide

(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 99826576) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is (3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID99826576
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(F)c1NC(=O)N1CC[C@@H](CN2CCCCC2)C1
InChIInChI=1S/C18H26FN3O2/c1-24-16-7-5-6-15(19)17(16)20-18(23)22-11-8-14(13-22)12-21-9-3-2-4-10-21/h5-7,14H,2-4,8-13H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyPBHNCLKXHBKMGS-AWEZNQCLSA-N
XLogP3.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
CID 126459311
N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127673
N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 136534290
N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 86800649
(3S)-3-(piperidin-1-ylmethyl)-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide
CID 99826625
N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 75442945
2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 22677899
4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(2-fluoro-6-methoxyphenyl)piperidine-1-carboxamide
CID 99830558
(3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 97308613
N-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 157468431
N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 75502909

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide (CID 99826576) is (3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide is COc1cccc(F)c1NC(=O)N1CC[C@@H](CN2CCCCC2)C1.
What is the InChIKey of (3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is PBHNCLKXHBKMGS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-24-16-7-5-6-15(19)17(16)20-18(23)22-11-8-14(13-22)12-21-9-3-2-4-10-21/h5-7,14H,2-4,8-13H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 99826576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).