(3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide

C20H28FN3O3 — CID 95093989

IUPAC(3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide
SMILESO=C(CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)NC[C@H]1CCCO1
InChIInChI=1S/C20H28FN3O3/c21-16-5-1-6-17(12-16)23-20(26)24-10-2-4-15(14-24)8-9-19(25)22-13-18-7-3-11-27-18/h1,5-6,12,15,18H,2-4,7-11,13-14H2,(H,22,25)(H,23,26)/t15-,18-/m1/s1
InChIKeyWDTLQODORKAJPO-CRAIPNDOSA-N
MW377.46 g/mol
LogP3.14
Rot. Bonds6

About (3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide

(3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide (PubChem CID 95093989) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is (3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide
PubChem CID95093989
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Name(3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide
SMILESO=C(CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)NC[C@H]1CCCO1
InChIInChI=1S/C20H28FN3O3/c21-16-5-1-6-17(12-16)23-20(26)24-10-2-4-15(14-24)8-9-19(25)22-13-18-7-3-11-27-18/h1,5-6,12,15,18H,2-4,7-11,13-14H2,(H,22,25)(H,23,26)/t15-,18-/m1/s1
InChIKeyWDTLQODORKAJPO-CRAIPNDOSA-N
XLogP3.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide
CID 53138083
(3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 95094005
(3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95093981
(3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95094000
(3S)-N-(3-fluorophenyl)-3-[3-[(4-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094017
(3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 129422804
N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138111
3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 53138155
N-(3-chlorophenyl)-4-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidine-1-carboxamide
CID 93071875
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094068
3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide
CID 51952632

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide (CID 95093989) is (3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide is O=C(CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)NC[C@H]1CCCO1.
What is the InChIKey of (3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide?
The InChIKey is WDTLQODORKAJPO-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H28FN3O3/c21-16-5-1-6-17(12-16)23-20(26)24-10-2-4-15(14-24)8-9-19(25)22-13-18-7-3-11-27-18/h1,5-6,12,15,18H,2-4,7-11,13-14H2,(H,22,25)(H,23,26)/t15-,18-/m1/s1.
What are the key properties of (3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide?
(3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide is sourced from PubChem (CID 95093989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).