1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide

C20H23FN4O2 — CID 47062453

IUPAC1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(CNC(=O)Nc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C20H23FN4O2/c21-16-5-7-17(8-6-16)24-20(27)23-12-14-3-9-18(10-4-14)25-11-1-2-15(13-25)19(22)26/h3-10,15H,1-2,11-13H2,(H2,22,26)(H2,23,24,27)
InChIKeyLEIOXUNFQPMXKV-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.85
Rot. Bonds5

About 1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide

1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide (PubChem CID 47062453) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide
PubChem CID47062453
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(CNC(=O)Nc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C20H23FN4O2/c21-16-5-7-17(8-6-16)24-20(27)23-12-14-3-9-18(10-4-14)25-11-1-2-15(13-25)19(22)26/h3-10,15H,1-2,11-13H2,(H2,22,26)(H2,23,24,27)
InChIKeyLEIOXUNFQPMXKV-UHFFFAOYSA-N
XLogP2.85
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide
CID 156825046
1-(4-fluorophenyl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]thiourea
CID 100626443
1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 47064463
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
1-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-3-phenylurea
CID 56923040
1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide
CID 56797802
(3R)-1-[4-[[(5-methylfuran-2-carbonyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 94632476
(3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 94531394
(3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide
CID 94640128
(3R)-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidine-3-carboxamide
CID 94173719
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 170858740

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide (CID 47062453) is 1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(CNC(=O)Nc3ccc(F)cc3)cc2)C1.
What is the InChIKey of 1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide?
The InChIKey is LEIOXUNFQPMXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-16-5-7-17(8-6-16)24-20(27)23-12-14-3-9-18(10-4-14)25-11-1-2-15(13-25)19(22)26/h3-10,15H,1-2,11-13H2,(H2,22,26)(H2,23,24,27).
What are the key properties of 1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide?
1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 47062453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).