N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide

C24H29N3O3 — CID 42849581

IUPACN-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide
SMILESO=C(C1CCC(c2ccccc2)N(C(=O)NCc2ccccc2)C1)N1CCOCC1
InChIInChI=1S/C24H29N3O3/c28-23(26-13-15-30-16-14-26)21-11-12-22(20-9-5-2-6-10-20)27(18-21)24(29)25-17-19-7-3-1-4-8-19/h1-10,21-22H,11-18H2,(H,25,29)
InChIKeyVLAQHEWFHUVZBF-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.21
Rot. Bonds4

About N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide

N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide (PubChem CID 42849581) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide
PubChem CID42849581
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide
SMILESO=C(C1CCC(c2ccccc2)N(C(=O)NCc2ccccc2)C1)N1CCOCC1
InChIInChI=1S/C24H29N3O3/c28-23(26-13-15-30-16-14-26)21-11-12-22(20-9-5-2-6-10-20)27(18-21)24(29)25-17-19-7-3-1-4-8-19/h1-10,21-22H,11-18H2,(H,25,29)
InChIKeyVLAQHEWFHUVZBF-UHFFFAOYSA-N
XLogP3.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide
CID 42849549
(3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 99768177
(2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 93328379
[1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 42869813
1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-phenylpiperidine-1,3-dicarboxamide
CID 46069441
4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid
CID 129468648
1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide
CID 42868538
N-benzyl-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 24664690
N-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131651377
4-benzyl-N-ethyl-2-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 24730515
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
(2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 95268349

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide?
The IUPAC name of N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide (CID 42849581) is N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide is O=C(C1CCC(c2ccccc2)N(C(=O)NCc2ccccc2)C1)N1CCOCC1.
What is the InChIKey of N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide?
The InChIKey is VLAQHEWFHUVZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c28-23(26-13-15-30-16-14-26)21-11-12-22(20-9-5-2-6-10-20)27(18-21)24(29)25-17-19-7-3-1-4-8-19/h1-10,21-22H,11-18H2,(H,25,29).
What are the key properties of N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide?
N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 42849581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).