N-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide

C22H33N3O2 — CID 119480049

IUPACN-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide
SMILESCc1ccccc1C1(C(=O)N2CCCC(C(=O)NCCN)C2)CCCCC1
InChIInChI=1S/C22H33N3O2/c1-17-8-3-4-10-19(17)22(11-5-2-6-12-22)21(27)25-15-7-9-18(16-25)20(26)24-14-13-23/h3-4,8,10,18H,2,5-7,9,11-16,23H2,1H3,(H,24,26)
InChIKeyBSJVWDJGKWDYGT-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.51
Rot. Bonds5

About N-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide (PubChem CID 119480049) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide
PubChem CID119480049
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide
SMILESCc1ccccc1C1(C(=O)N2CCCC(C(=O)NCCN)C2)CCCCC1
InChIInChI=1S/C22H33N3O2/c1-17-8-3-4-10-19(17)22(11-5-2-6-12-22)21(27)25-15-7-9-18(16-25)20(26)24-14-13-23/h3-4,8,10,18H,2,5-7,9,11-16,23H2,1H3,(H,24,26)
InChIKeyBSJVWDJGKWDYGT-UHFFFAOYSA-N
XLogP2.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119378259
N-(2-aminoethyl)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 119481407
[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 119488173
N-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide
CID 119479640
N-(2-aminoethyl)-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119482262
N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480453
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898
N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide
CID 119482356
N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide
CID 63251979
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-(4-methylquinoline-2-carbonyl)piperidine-3-carboxamide
CID 126791837

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide (CID 119480049) is N-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide is Cc1ccccc1C1(C(=O)N2CCCC(C(=O)NCCN)C2)CCCCC1.
What is the InChIKey of N-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide?
The InChIKey is BSJVWDJGKWDYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-17-8-3-4-10-19(17)22(11-5-2-6-12-22)21(27)25-15-7-9-18(16-25)20(26)24-14-13-23/h3-4,8,10,18H,2,5-7,9,11-16,23H2,1H3,(H,24,26).
What are the key properties of N-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 119480049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).