(3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide

C16H21FN6O — CID 95320044

IUPAC(3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
SMILESCC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)C1
InChIInChI=1S/C16H21FN6O/c1-3-12-5-4-8-22(10-12)16(24)18-13-6-7-14(17)15(9-13)23-11(2)19-20-21-23/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,18,24)/t12-/m1/s1
InChIKeyYZNKBMPJAVYMIY-GFCCVEGCSA-N
MW332.38 g/mol
LogP2.76
Rot. Bonds3

About (3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide

(3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide (PubChem CID 95320044) has the molecular formula C16H21FN6O and a molecular weight of 332.38 g/mol. Its IUPAC name is (3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
PubChem CID95320044
Molecular FormulaC16H21FN6O
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC Name(3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
SMILESCC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)C1
InChIInChI=1S/C16H21FN6O/c1-3-12-5-4-8-22(10-12)16(24)18-13-6-7-14(17)15(9-13)23-11(2)19-20-21-23/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,18,24)/t12-/m1/s1
InChIKeyYZNKBMPJAVYMIY-GFCCVEGCSA-N
XLogP2.76
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]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

(4aR,8aS)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-6-carboxamide
CID 129344839
1-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126798625
N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 119313677
(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 97257410
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 136523571
1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95320049
3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide
CID 86799909
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide
CID 47197599
3-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylazocane-1-carboxamide
CID 144845910
2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345636
5-[(3-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157800

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide (CID 95320044) is (3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide is CC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)C1.
What is the InChIKey of (3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is YZNKBMPJAVYMIY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21FN6O/c1-3-12-5-4-8-22(10-12)16(24)18-13-6-7-14(17)15(9-13)23-11(2)19-20-21-23/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,18,24)/t12-/m1/s1.
What are the key properties of (3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide?
(3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 95320044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).