(3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide

C20H24FN3O — CID 94531394

IUPAC(3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(c2ccc(CNCc3ccccc3F)cc2)C1
InChIInChI=1S/C20H24FN3O/c21-19-6-2-1-4-16(19)13-23-12-15-7-9-18(10-8-15)24-11-3-5-17(14-24)20(22)25/h1-2,4,6-10,17,23H,3,5,11-14H2,(H2,22,25)/t17-/m0/s1
InChIKeyPEQQJIVBJAWNAX-KRWDZBQOSA-N
MW341.43 g/mol
LogP2.82
Rot. Bonds6

About (3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide

(3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide (PubChem CID 94531394) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is (3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
PubChem CID94531394
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name(3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(c2ccc(CNCc3ccccc3F)cc2)C1
InChIInChI=1S/C20H24FN3O/c21-19-6-2-1-4-16(19)13-23-12-15-7-9-18(10-8-15)24-11-3-5-17(14-24)20(22)25/h1-2,4,6-10,17,23H,3,5,11-14H2,(H2,22,25)/t17-/m0/s1
InChIKeyPEQQJIVBJAWNAX-KRWDZBQOSA-N
XLogP2.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 51120625
(3R)-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidine-3-carboxamide
CID 94173719
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
(3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide
CID 94640128
1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide
CID 47062453
1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 47064463
2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide
CID 100637147
1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 56827310
1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide
CID 56797802
1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 47069872
N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 170858740
(3R)-1-[4-[[(5-methylfuran-2-carbonyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 94632476

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide (CID 94531394) is (3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccccc3F)cc2)C1.
What is the InChIKey of (3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide?
The InChIKey is PEQQJIVBJAWNAX-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-19-6-2-1-4-16(19)13-23-12-15-7-9-18(10-8-15)24-11-3-5-17(14-24)20(22)25/h1-2,4,6-10,17,23H,3,5,11-14H2,(H2,22,25)/t17-/m0/s1.
What are the key properties of (3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide?
(3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 94531394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).