N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide

C17H25N3O — CID 122568655

IUPACN-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CC(N2CCCCC2)C1)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-14(15-8-4-2-5-9-15)18-17(21)20-12-16(13-20)19-10-6-3-7-11-19/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyNDWWLXULCMBTKZ-AWEZNQCLSA-N
MW287.41 g/mol
LogP2.63
Rot. Bonds3

About N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide

N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide (PubChem CID 122568655) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide
PubChem CID122568655
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CC(N2CCCCC2)C1)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-14(15-8-4-2-5-9-15)18-17(21)20-12-16(13-20)19-10-6-3-7-11-19/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyNDWWLXULCMBTKZ-AWEZNQCLSA-N
XLogP2.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide
CID 124729607
2-oxo-N-(1-phenylethyl)-2-piperidin-1-ylacetamide
CID 108507850
N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
N-[1-(2,4-difluorophenyl)ethyl]-3-piperidin-1-ylazetidine-1-carboxamide;formic acid
CID 154909605
4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 122570435
(3S)-1-[1-(4-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119655
N-[1-(1-methylpyrazol-4-yl)ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide
CID 75375373
N-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide
CID 70513646
3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide
CID 126425885
N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3722367

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide (CID 122568655) is N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide is C[C@H](NC(=O)N1CC(N2CCCCC2)C1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide?
The InChIKey is NDWWLXULCMBTKZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14(15-8-4-2-5-9-15)18-17(21)20-12-16(13-20)19-10-6-3-7-11-19/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H,18,21)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide?
N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide is sourced from PubChem (CID 122568655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).