N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide

C21H34N2O2 — CID 119816785

IUPACN-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide
SMILESCOc1ccccc1C(CC(C)C)NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C21H34N2O2/c1-15(2)12-19(18-9-5-6-10-20(18)25-4)23-21(24)13-16(3)17-8-7-11-22-14-17/h5-6,9-10,15-17,19,22H,7-8,11-14H2,1-4H3,(H,23,24)
InChIKeyOYGQILFLKMJHJX-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.92
Rot. Bonds8

About N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide

N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide (PubChem CID 119816785) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide
PubChem CID119816785
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC NameN-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide
SMILESCOc1ccccc1C(CC(C)C)NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C21H34N2O2/c1-15(2)12-19(18-9-5-6-10-20(18)25-4)23-21(24)13-16(3)17-8-7-11-22-14-17/h5-6,9-10,15-17,19,22H,7-8,11-14H2,1-4H3,(H,23,24)
InChIKeyOYGQILFLKMJHJX-UHFFFAOYSA-N
XLogP3.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide
CID 119836776
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119787157
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 119805764
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119713316
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119694049
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119805763
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119721204

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide (CID 119816785) is N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide is COc1ccccc1C(CC(C)C)NC(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide?
The InChIKey is OYGQILFLKMJHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-15(2)12-19(18-9-5-6-10-20(18)25-4)23-21(24)13-16(3)17-8-7-11-22-14-17/h5-6,9-10,15-17,19,22H,7-8,11-14H2,1-4H3,(H,23,24).
What are the key properties of N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide?
N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide has a molecular weight of 346.52 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119816785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).