N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide

C17H21ClN4O3 — CID 154570414

IUPACN-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide
SMILESCC(=O)NCCNC(=O)C1CCN(c2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C17H21ClN4O3/c1-11(23)19-6-7-20-16(24)12-4-8-22(9-5-12)17-21-14-3-2-13(18)10-15(14)25-17/h2-3,10,12H,4-9H2,1H3,(H,19,23)(H,20,24)
InChIKeyZTEHNLBBTKFDBE-UHFFFAOYSA-N
MW364.83 g/mol
LogP1.95
Rot. Bonds5

About N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide

N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide (PubChem CID 154570414) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide
PubChem CID154570414
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC NameN-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide
SMILESCC(=O)NCCNC(=O)C1CCN(c2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C17H21ClN4O3/c1-11(23)19-6-7-20-16(24)12-4-8-22(9-5-12)17-21-14-3-2-13(18)10-15(14)25-17/h2-3,10,12H,4-9H2,1H3,(H,19,23)(H,20,24)
InChIKeyZTEHNLBBTKFDBE-UHFFFAOYSA-N
XLogP1.95
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-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

1-(6-chloro-1,3-benzoxazol-2-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide
CID 154567877
1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide
CID 155500343
1-(6-chloro-1,3-benzoxazol-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 154569216
1-(6-chloro-1,3-benzoxazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 154822947
ethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 57360960
[4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone
CID 171335973
1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
CID 15993683
[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 154565639
1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163349240
[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 154821040
1-(1,3-benzoxazol-2-yl)-N-[2-(cycloheptylamino)ethyl]piperidine-4-carboxamide
CID 119620972
4-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-1,3-dimethylpiperazin-2-one
CID 154819248

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide (CID 154570414) is N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide is CC(=O)NCCNC(=O)C1CCN(c2nc3ccc(Cl)cc3o2)CC1.
What is the InChIKey of N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide?
The InChIKey is ZTEHNLBBTKFDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-11(23)19-6-7-20-16(24)12-4-8-22(9-5-12)17-21-14-3-2-13(18)10-15(14)25-17/h2-3,10,12H,4-9H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide?
N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide has a molecular weight of 364.83 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 154570414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).