N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide

C22H34N2O3 — CID 119802538

IUPACN-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
SMILESCOc1ccc(CNC(=O)CC(C)C2CCCNC2)c(OC2CCCC2)c1
InChIInChI=1S/C22H34N2O3/c1-16(17-6-5-11-23-14-17)12-22(25)24-15-18-9-10-20(26-2)13-21(18)27-19-7-3-4-8-19/h9-10,13,16-17,19,23H,3-8,11-12,14-15H2,1-2H3,(H,24,25)
InChIKeyYRKNQESOVRDMHN-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.66
Rot. Bonds8

About N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide

N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide (PubChem CID 119802538) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
PubChem CID119802538
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC NameN-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
SMILESCOc1ccc(CNC(=O)CC(C)C2CCCNC2)c(OC2CCCC2)c1
InChIInChI=1S/C22H34N2O3/c1-16(17-6-5-11-23-14-17)12-22(25)24-15-18-9-10-20(26-2)13-21(18)27-19-7-3-4-8-19/h9-10,13,16-17,19,23H,3-8,11-12,14-15H2,1-2H3,(H,24,25)
InChIKeyYRKNQESOVRDMHN-UHFFFAOYSA-N
XLogP3.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
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
3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 119952019
(3S)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide
CID 99775759
(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide
CID 99775760
N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 81049427
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119334414
N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119784711
3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703515

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide (CID 119802538) is N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide is COc1ccc(CNC(=O)CC(C)C2CCCNC2)c(OC2CCCC2)c1.
What is the InChIKey of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide?
The InChIKey is YRKNQESOVRDMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-16(17-6-5-11-23-14-17)12-22(25)24-15-18-9-10-20(26-2)13-21(18)27-19-7-3-4-8-19/h9-10,13,16-17,19,23H,3-8,11-12,14-15H2,1-2H3,(H,24,25).
What are the key properties of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide?
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide has a molecular weight of 374.53 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119802538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).