1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

C25H31Cl2N3O2 — CID 43917458

IUPAC1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)C1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C25H31Cl2N3O2/c26-23-4-1-5-24(27)22(23)18-30-10-2-3-21(17-30)25(31)28-15-19-6-8-20(9-7-19)16-29-11-13-32-14-12-29/h1,4-9,21H,2-3,10-18H2,(H,28,31)
InChIKeyRSUWULTWNUBFQB-UHFFFAOYSA-N
MW476.45 g/mol
LogP4.35
Rot. Bonds7

About 1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 43917458) has the molecular formula C25H31Cl2N3O2 and a molecular weight of 476.45 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID43917458
Molecular FormulaC25H31Cl2N3O2
Molecular Weight476.45 g/mol
Exact Mass475.18
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)C1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C25H31Cl2N3O2/c26-23-4-1-5-24(27)22(23)18-30-10-2-3-21(17-30)25(31)28-15-19-6-8-20(9-7-19)16-29-11-13-32-14-12-29/h1,4-9,21H,2-3,10-18H2,(H,28,31)
InChIKeyRSUWULTWNUBFQB-UHFFFAOYSA-N
XLogP4.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917296
(3R)-1-[(2-chlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 93489973
1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917314
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43917450
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 93490177
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43920949
1-(4-chlorobenzoyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24549508
4-[[[(3R)-1-benzylpiperidine-3-carbonyl]amino]methyl]benzoic acid
CID 124703905
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100778330
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide (CID 43917458) is 1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is RSUWULTWNUBFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31Cl2N3O2/c26-23-4-1-5-24(27)22(23)18-30-10-2-3-21(17-30)25(31)28-15-19-6-8-20(9-7-19)16-29-11-13-32-14-12-29/h1,4-9,21H,2-3,10-18H2,(H,28,31).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 476.45 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43917458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).