N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide

C23H29FN4O2 — CID 1065117

IUPACN-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
SMILESCC[C@H](C)NC(=O)c1cc(NC(=O)Nc2cccc(F)c2)ccc1N1CCCCC1
InChIInChI=1S/C23H29FN4O2/c1-3-16(2)25-22(29)20-15-19(10-11-21(20)28-12-5-4-6-13-28)27-23(30)26-18-9-7-8-17(24)14-18/h7-11,14-16H,3-6,12-13H2,1-2H3,(H,25,29)(H2,26,27,30)/t16-/m0/s1
InChIKeyYSXNNHBQTJUQDV-INIZCTEOSA-N
MW412.51 g/mol
LogP4.99
Rot. Bonds6

About N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide

N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide (PubChem CID 1065117) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
PubChem CID1065117
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC NameN-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
SMILESCC[C@H](C)NC(=O)c1cc(NC(=O)Nc2cccc(F)c2)ccc1N1CCCCC1
InChIInChI=1S/C23H29FN4O2/c1-3-16(2)25-22(29)20-15-19(10-11-21(20)28-12-5-4-6-13-28)27-23(30)26-18-9-7-8-17(24)14-18/h7-11,14-16H,3-6,12-13H2,1-2H3,(H,25,29)(H2,26,27,30)/t16-/m0/s1
InChIKeyYSXNNHBQTJUQDV-INIZCTEOSA-N
XLogP4.99
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide 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-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065110
N-[(2S)-butan-2-yl]-5-[(3-cyanophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065125
N-butan-2-yl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3707100
N-[(2R)-butan-2-yl]-5-[(4-chlorophenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065276
5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 4579577
N-[(2R)-butan-2-yl]-5-[(2-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065146
N-butan-2-yl-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide
CID 3646129
N-butan-2-yl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756297
N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066998
N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 4992551
N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide
CID 7129874
5-(benzylcarbamoylamino)-N-[(2S)-butan-2-yl]-2-pyrrolidin-1-ylbenzamide
CID 1065281

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide (CID 1065117) is N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide is CC[C@H](C)NC(=O)c1cc(NC(=O)Nc2cccc(F)c2)ccc1N1CCCCC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The InChIKey is YSXNNHBQTJUQDV-INIZCTEOSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-3-16(2)25-22(29)20-15-19(10-11-21(20)28-12-5-4-6-13-28)27-23(30)26-18-9-7-8-17(24)14-18/h7-11,14-16H,3-6,12-13H2,1-2H3,(H,25,29)(H2,26,27,30)/t16-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide has a molecular weight of 412.51 g/mol, XLogP of 4.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 1065117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).