2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylcyclohexyl)acetamide

C22H32N4O — CID 29477275

IUPAC2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)CC1
InChIInChI=1S/C22H32N4O/c1-18-3-9-21(10-4-18)24-22(27)17-26-12-2-11-25(13-14-26)16-20-7-5-19(15-23)6-8-20/h5-8,18,21H,2-4,9-14,16-17H2,1H3,(H,24,27)
InChIKeyFYNSSALDYGZEBL-UHFFFAOYSA-N
MW368.53 g/mol
LogP2.76
Rot. Bonds5

About 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylcyclohexyl)acetamide

2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 29477275) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylcyclohexyl)acetamide
PubChem CID29477275
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)CC1
InChIInChI=1S/C22H32N4O/c1-18-3-9-21(10-4-18)24-22(27)17-26-12-2-11-25(13-14-26)16-20-7-5-19(15-23)6-8-20/h5-8,18,21H,2-4,9-14,16-17H2,1H3,(H,24,27)
InChIKeyFYNSSALDYGZEBL-UHFFFAOYSA-N
XLogP2.76
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51224084
N-(4-bromophenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide
CID 16598170
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetic acid
CID 43396853
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-phenylpropyl)acetamide
CID 29477129
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 16598193
ethyl 4-[[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]amino]piperidine-1-carboxylate
CID 55457022
N-(1-acetylpiperidin-4-yl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 55446686
2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 62404425
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 55484019
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55355595
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 51636347
(3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 95551898

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylcyclohexyl)acetamide (CID 29477275) is 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)CC1.
What is the InChIKey of 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is FYNSSALDYGZEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-18-3-9-21(10-4-18)24-22(27)17-26-12-2-11-25(13-14-26)16-20-7-5-19(15-23)6-8-20/h5-8,18,21H,2-4,9-14,16-17H2,1H3,(H,24,27).
What are the key properties of 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylcyclohexyl)acetamide?
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 368.53 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 29477275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).