N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide

C22H30N2O3 — CID 51129983

IUPACN-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCC(NC(=O)C2CC3CCC2C3)CC1
InChIInChI=1S/C22H30N2O3/c1-27-20-5-3-2-4-17(20)14-21(25)24-10-8-18(9-11-24)23-22(26)19-13-15-6-7-16(19)12-15/h2-5,15-16,18-19H,6-14H2,1H3,(H,23,26)
InChIKeyITDAPQFEJLTJQA-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.78
Rot. Bonds5

About N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide

N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 51129983) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID51129983
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCC(NC(=O)C2CC3CCC2C3)CC1
InChIInChI=1S/C22H30N2O3/c1-27-20-5-3-2-4-17(20)14-21(25)24-10-8-18(9-11-24)23-22(26)19-13-15-6-7-16(19)12-15/h2-5,15-16,18-19H,6-14H2,1H3,(H,23,26)
InChIKeyITDAPQFEJLTJQA-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119763931
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 119312121
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide
CID 119763933
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
CID 52605797
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride
CID 119312142
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide
CID 52820081
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
N-cyclopropyl-3-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 24790876
2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide
CID 120668110
N-cyclopropyl-2-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 51329083
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
CID 119763945
1-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(3-methyl-4-pyridinyl)urea
CID 136519359

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide (CID 51129983) is N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide is COc1ccccc1CC(=O)N1CCC(NC(=O)C2CC3CCC2C3)CC1.
What is the InChIKey of N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ITDAPQFEJLTJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-27-20-5-3-2-4-17(20)14-21(25)24-10-8-18(9-11-24)23-22(26)19-13-15-6-7-16(19)12-15/h2-5,15-16,18-19H,6-14H2,1H3,(H,23,26).
What are the key properties of N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 51129983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).