1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide

C17H18ClF2N3O2 — CID 155500343

IUPAC1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCC1CC1(F)F)C1CCN(c2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C17H18ClF2N3O2/c18-12-1-2-13-14(7-12)25-16(22-13)23-5-3-10(4-6-23)15(24)21-9-11-8-17(11,19)20/h1-2,7,10-11H,3-6,8-9H2,(H,21,24)
InChIKeyPVNXFFSPAATWHN-UHFFFAOYSA-N
MW369.80 g/mol
LogP3.47
Rot. Bonds4

About 1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide

1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide (PubChem CID 155500343) has the molecular formula C17H18ClF2N3O2 and a molecular weight of 369.80 g/mol. Its IUPAC name is 1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide
PubChem CID155500343
Molecular FormulaC17H18ClF2N3O2
Molecular Weight369.80 g/mol
Exact Mass369.11
IUPAC Name1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCC1CC1(F)F)C1CCN(c2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C17H18ClF2N3O2/c18-12-1-2-13-14(7-12)25-16(22-13)23-5-3-10(4-6-23)15(24)21-9-11-8-17(11,19)20/h1-2,7,10-11H,3-6,8-9H2,(H,21,24)
InChIKeyPVNXFFSPAATWHN-UHFFFAOYSA-N
XLogP3.47
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.80
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]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

N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 154570414
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
1-(6-chloro-1,3-benzoxazol-2-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide
CID 154567877
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-(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
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide
CID 167081478
[4-(6-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 165435446
N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
CID 172903728

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide (CID 155500343) is 1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide is O=C(NCC1CC1(F)F)C1CCN(c2nc3ccc(Cl)cc3o2)CC1.
What is the InChIKey of 1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide?
The InChIKey is PVNXFFSPAATWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N3O2/c18-12-1-2-13-14(7-12)25-16(22-13)23-5-3-10(4-6-23)15(24)21-9-11-8-17(11,19)20/h1-2,7,10-11H,3-6,8-9H2,(H,21,24).
What are the key properties of 1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide?
1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide has a molecular weight of 369.80 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 155500343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).