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

C26H35N3O2 — CID 43917314

IUPAC1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CN1CCCC(C(=O)NCc2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C26H35N3O2/c1-21-5-2-3-6-24(21)19-29-12-4-7-25(20-29)26(30)27-17-22-8-10-23(11-9-22)18-28-13-15-31-16-14-28/h2-3,5-6,8-11,25H,4,7,12-20H2,1H3,(H,27,30)
InChIKeyICXWQJUFUNJZCN-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.36
Rot. Bonds7

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

1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 43917314) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID43917314
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CN1CCCC(C(=O)NCc2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C26H35N3O2/c1-21-5-2-3-6-24(21)19-29-12-4-7-25(20-29)26(30)27-17-22-8-10-23(11-9-22)18-28-13-15-31-16-14-28/h2-3,5-6,8-11,25H,4,7,12-20H2,1H3,(H,27,30)
InChIKeyICXWQJUFUNJZCN-UHFFFAOYSA-N
XLogP3.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(2-chlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 93489973
1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917296
1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917458
N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924153
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
1-[(4-fluorophenyl)methyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133204271
4-[[[(3R)-1-benzylpiperidine-3-carbonyl]amino]methyl]benzoic acid
CID 124703905
1-[(4-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917349
N-cyclopentyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918554
1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 43921898
(3S)-1-[(2-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 94023964
N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43926238

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide (CID 43917314) is 1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide is Cc1ccccc1CN1CCCC(C(=O)NCc2ccc(CN3CCOCC3)cc2)C1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is ICXWQJUFUNJZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-21-5-2-3-6-24(21)19-29-12-4-7-25(20-29)26(30)27-17-22-8-10-23(11-9-22)18-28-13-15-31-16-14-28/h2-3,5-6,8-11,25H,4,7,12-20H2,1H3,(H,27,30).
What are the key properties of 1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43917314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).