N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide

C17H26N2O2 — CID 81048441

IUPACN-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
SMILESCOc1ccccc1CNC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C17H26N2O2/c1-13(14-7-5-9-18-11-14)10-17(20)19-12-15-6-3-4-8-16(15)21-2/h3-4,6,8,13-14,18H,5,7,9-12H2,1-2H3,(H,19,20)
InChIKeyDLTMYAFIGYWSGU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.34
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide (PubChem CID 81048441) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
PubChem CID81048441
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
SMILESCOc1ccccc1CNC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C17H26N2O2/c1-13(14-7-5-9-18-11-14)10-17(20)19-12-15-6-3-4-8-16(15)21-2/h3-4,6,8,13-14,18H,5,7,9-12H2,1-2H3,(H,19,20)
InChIKeyDLTMYAFIGYWSGU-UHFFFAOYSA-N
XLogP2.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 81049427
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119802538
N-[(2-nitrophenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119706778
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705612
N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119811297
N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide
CID 119816785
N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119708893
3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119846768
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714575

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide (CID 81048441) is N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide is COc1ccccc1CNC(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide?
The InChIKey is DLTMYAFIGYWSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(14-7-5-9-18-11-14)10-17(20)19-12-15-6-3-4-8-16(15)21-2/h3-4,6,8,13-14,18H,5,7,9-12H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide?
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81048441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).