N-(2-ethylphenyl)-4-(pentanoylamino)piperidine-1-carboxamide

C19H29N3O2 — CID 127145216

IUPACN-(2-ethylphenyl)-4-(pentanoylamino)piperidine-1-carboxamide
SMILESCCCCC(=O)NC1CCN(C(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C19H29N3O2/c1-3-5-10-18(23)20-16-11-13-22(14-12-16)19(24)21-17-9-7-6-8-15(17)4-2/h6-9,16H,3-5,10-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyOBPCPWHWQNRWSM-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.55
Rot. Bonds6

About N-(2-ethylphenyl)-4-(pentanoylamino)piperidine-1-carboxamide

N-(2-ethylphenyl)-4-(pentanoylamino)piperidine-1-carboxamide (PubChem CID 127145216) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-(pentanoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-(pentanoylamino)piperidine-1-carboxamide
PubChem CID127145216
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(2-ethylphenyl)-4-(pentanoylamino)piperidine-1-carboxamide
SMILESCCCCC(=O)NC1CCN(C(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C19H29N3O2/c1-3-5-10-18(23)20-16-11-13-22(14-12-16)19(24)21-17-9-7-6-8-15(17)4-2/h6-9,16H,3-5,10-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyOBPCPWHWQNRWSM-UHFFFAOYSA-N
XLogP3.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-ethylphenyl)-4-(pentanoylamino)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 127145242
4-[(4-ethoxybenzoyl)amino]-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 3218431
N-[1-(2-methylbenzoyl)piperidin-4-yl]pentanamide
CID 110820234
ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028834
4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 127145276
4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide
CID 119700221
N-(1-acetylpyrrolidin-3-yl)pentanamide
CID 110871326
4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
N-(2-ethylphenyl)heptanamide
CID 4582103
N-(2-ethylphenyl)undecanamide
CID 5078439
4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide
CID 110822027
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-(pentanoylamino)piperidine-1-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-4-(pentanoylamino)piperidine-1-carboxamide (CID 127145216) is N-(2-ethylphenyl)-4-(pentanoylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-(pentanoylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-4-(pentanoylamino)piperidine-1-carboxamide is CCCCC(=O)NC1CCN(C(=O)Nc2ccccc2CC)CC1.
What is the InChIKey of N-(2-ethylphenyl)-4-(pentanoylamino)piperidine-1-carboxamide?
The InChIKey is OBPCPWHWQNRWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-5-10-18(23)20-16-11-13-22(14-12-16)19(24)21-17-9-7-6-8-15(17)4-2/h6-9,16H,3-5,10-14H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(2-ethylphenyl)-4-(pentanoylamino)piperidine-1-carboxamide?
N-(2-ethylphenyl)-4-(pentanoylamino)piperidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-(pentanoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 127145216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).