(2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

C20H31FN4O2 — CID 126430817

IUPAC(2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC[C@H]2CCN2CCN(C)CC2)c(F)c1
InChIInChI=1S/C20H31FN4O2/c1-23-11-13-24(14-12-23)10-8-16-5-3-4-9-25(16)20(26)22-19-7-6-17(27-2)15-18(19)21/h6-7,15-16H,3-5,8-14H2,1-2H3,(H,22,26)/t16-/m0/s1
InChIKeyBZEIZCAJACTOJV-INIZCTEOSA-N
MW378.49 g/mol
LogP2.86
Rot. Bonds5

About (2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

(2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide (PubChem CID 126430817) has the molecular formula C20H31FN4O2 and a molecular weight of 378.49 g/mol. Its IUPAC name is (2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
PubChem CID126430817
Molecular FormulaC20H31FN4O2
Molecular Weight378.49 g/mol
Exact Mass378.24
IUPAC Name(2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC[C@H]2CCN2CCN(C)CC2)c(F)c1
InChIInChI=1S/C20H31FN4O2/c1-23-11-13-24(14-12-23)10-8-16-5-3-4-9-25(16)20(26)22-19-7-6-17(27-2)15-18(19)21/h6-7,15-16H,3-5,8-14H2,1-2H3,(H,22,26)/t16-/m0/s1
InChIKeyBZEIZCAJACTOJV-INIZCTEOSA-N
XLogP2.86
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 56894380
ethyl 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-2-yl]acetate
CID 56890366
(2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 97331505
N-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 72872160
2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 62871728
(2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95708222
(2R)-N-[(3-methylphenyl)methyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
CID 126449054
(2R)-N-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 94821286
(2-methylphenyl)-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 53193412
(2S)-N-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104556
2-[2-(4-methylpiperazin-1-yl)ethyl]-N-(1-phenylcyclopropyl)piperidine-1-carboxamide
CID 121496338
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid
CID 63190287

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide (CID 126430817) is (2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCCC[C@H]2CCN2CCN(C)CC2)c(F)c1.
What is the InChIKey of (2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is BZEIZCAJACTOJV-INIZCTEOSA-N. The full InChI is InChI=1S/C20H31FN4O2/c1-23-11-13-24(14-12-23)10-8-16-5-3-4-9-25(16)20(26)22-19-7-6-17(27-2)15-18(19)21/h6-7,15-16H,3-5,8-14H2,1-2H3,(H,22,26)/t16-/m0/s1.
What are the key properties of (2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide?
(2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 378.49 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 126430817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).