1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

C25H33N3O2 — CID 43917296

IUPAC1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C25H33N3O2/c29-25(24-7-4-12-28(20-24)19-22-5-2-1-3-6-22)26-17-21-8-10-23(11-9-21)18-27-13-15-30-16-14-27/h1-3,5-6,8-11,24H,4,7,12-20H2,(H,26,29)
InChIKeyLYWOSYNHXAOSCJ-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.05
Rot. Bonds7

About 1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 43917296) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID43917296
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C25H33N3O2/c29-25(24-7-4-12-28(20-24)19-22-5-2-1-3-6-22)26-17-21-8-10-23(11-9-21)18-27-13-15-30-16-14-27/h1-3,5-6,8-11,24H,4,7,12-20H2,(H,26,29)
InChIKeyLYWOSYNHXAOSCJ-UHFFFAOYSA-N
XLogP3.05
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
(3R)-1-[(2-chlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 93489973
1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917458
1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917314
4-[[[(3R)-1-benzylpiperidine-3-carbonyl]amino]methyl]benzoic acid
CID 124703905
1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 46774277
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43917450
1-(4-chlorobenzoyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24549508
(2S)-1-(benzenesulfonyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 30837274
1-[(4-fluorophenyl)methyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133204271
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43920949

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide (CID 43917296) is 1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is LYWOSYNHXAOSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c29-25(24-7-4-12-28(20-24)19-22-5-2-1-3-6-22)26-17-21-8-10-23(11-9-21)18-27-13-15-30-16-14-27/h1-3,5-6,8-11,24H,4,7,12-20H2,(H,26,29).
What are the key properties of 1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43917296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).