4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide

C21H33N3O3 — CID 125447036

IUPAC4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide
SMILESCC[C@](C)(CCNC(=O)N1CCC(NC(C)=O)CC1)c1ccccc1OC
InChIInChI=1S/C21H33N3O3/c1-5-21(3,18-8-6-7-9-19(18)27-4)12-13-22-20(26)24-14-10-17(11-15-24)23-16(2)25/h6-9,17H,5,10-15H2,1-4H3,(H,22,26)(H,23,25)/t21-/m1/s1
InChIKeyHKPBLUMDQBNMON-OAQYLSRUSA-N
MW375.51 g/mol
LogP3.06
Rot. Bonds7

About 4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide

4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide (PubChem CID 125447036) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide
PubChem CID125447036
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide
SMILESCC[C@](C)(CCNC(=O)N1CCC(NC(C)=O)CC1)c1ccccc1OC
InChIInChI=1S/C21H33N3O3/c1-5-21(3,18-8-6-7-9-19(18)27-4)12-13-22-20(26)24-14-10-17(11-15-24)23-16(2)25/h6-9,17H,5,10-15H2,1-4H3,(H,22,26)(H,23,25)/t21-/m1/s1
InChIKeyHKPBLUMDQBNMON-OAQYLSRUSA-N
XLogP3.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide
CID 131922320
N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 125447015
N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine
CID 125438960
N-[3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine
CID 122560790
3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide
CID 74233002
N-[3-(2-methoxyphenyl)-3-methylpentyl]-1,5-dimethylpyrazole-3-carboxamide
CID 122559638
methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate
CID 142124553
1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide
CID 154775414
4-acetamido-N-tert-butylpiperidine-1-carboxamide
CID 110748466
2-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549236
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 110820045

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide?
The IUPAC name of 4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide (CID 125447036) is 4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide?
The canonical SMILES for 4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide is CC[C@](C)(CCNC(=O)N1CCC(NC(C)=O)CC1)c1ccccc1OC.
What is the InChIKey of 4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide?
The InChIKey is HKPBLUMDQBNMON-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-5-21(3,18-8-6-7-9-19(18)27-4)12-13-22-20(26)24-14-10-17(11-15-24)23-16(2)25/h6-9,17H,5,10-15H2,1-4H3,(H,22,26)(H,23,25)/t21-/m1/s1.
What are the key properties of 4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide?
4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide is sourced from PubChem (CID 125447036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).