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

C25H40N4O2 — CID 55769235

IUPAC4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1CN1CCOCC1)N1CCC(CN2CCCCCC2)CC1
InChIInChI=1S/C25H40N4O2/c30-25(29-13-9-22(10-14-29)20-27-11-5-1-2-6-12-27)26-19-23-7-3-4-8-24(23)21-28-15-17-31-18-16-28/h3-4,7-8,22H,1-2,5-6,9-21H2,(H,26,30)
InChIKeyNMHUJAZZTUZHSZ-UHFFFAOYSA-N
MW428.62 g/mol
LogP3.32
Rot. Bonds6

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

4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 55769235) has the molecular formula C25H40N4O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is 4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID55769235
Molecular FormulaC25H40N4O2
Molecular Weight428.62 g/mol
Exact Mass428.32
IUPAC Name4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1CN1CCOCC1)N1CCC(CN2CCCCCC2)CC1
InChIInChI=1S/C25H40N4O2/c30-25(29-13-9-22(10-14-29)20-27-11-5-1-2-6-12-27)26-19-23-7-3-4-8-24(23)21-28-15-17-31-18-16-28/h3-4,7-8,22H,1-2,5-6,9-21H2,(H,26,30)
InChIKeyNMHUJAZZTUZHSZ-UHFFFAOYSA-N
XLogP3.32
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
CID 60503666
(3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 95342259
N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 20907522
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 86898946
2,6-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51291268
2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799386
trans-(1R,2R)-2-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 124700217
N-(cyclopropylmethyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 55793748
2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111375355
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride
CID 119834742
4-(4-fluorophenyl)sulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1,4-diazepane-1-carboxamide
CID 55473304
(2R)-1-(cyclohexanecarbonyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 94167854

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide (CID 55769235) is 4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide is O=C(NCc1ccccc1CN1CCOCC1)N1CCC(CN2CCCCCC2)CC1.
What is the InChIKey of 4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is NMHUJAZZTUZHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O2/c30-25(29-13-9-22(10-14-29)20-27-11-5-1-2-6-12-27)26-19-23-7-3-4-8-24(23)21-28-15-17-31-18-16-28/h3-4,7-8,22H,1-2,5-6,9-21H2,(H,26,30).
What are the key properties of 4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide?
4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 428.62 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 55769235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).