N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide

C23H37N3O — CID 119869671

IUPACN-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCc1ccccc1CN1CCCCCC1)C1CCNCC1
InChIInChI=1S/C23H37N3O/c1-19(20-10-12-24-13-11-20)16-23(27)25-17-21-8-4-5-9-22(21)18-26-14-6-2-3-7-15-26/h4-5,8-9,19-20,24H,2-3,6-7,10-18H2,1H3,(H,25,27)
InChIKeyAVOHPBODZKTRID-UHFFFAOYSA-N
MW371.57 g/mol
LogP3.70
Rot. Bonds7

About N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide

N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide (PubChem CID 119869671) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide
PubChem CID119869671
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC NameN-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCc1ccccc1CN1CCCCCC1)C1CCNCC1
InChIInChI=1S/C23H37N3O/c1-19(20-10-12-24-13-11-20)16-23(27)25-17-21-8-4-5-9-22(21)18-26-14-6-2-3-7-15-26/h4-5,8-9,19-20,24H,2-3,6-7,10-18H2,1H3,(H,25,27)
InChIKeyAVOHPBODZKTRID-UHFFFAOYSA-N
XLogP3.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride
CID 119755229
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119845542
N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119739883
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119867437
N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119708893
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119872755
N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705416
4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide
CID 120565155
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119834691
N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119784711

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide (CID 119869671) is N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCc1ccccc1CN1CCCCCC1)C1CCNCC1.
What is the InChIKey of N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide?
The InChIKey is AVOHPBODZKTRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O/c1-19(20-10-12-24-13-11-20)16-23(27)25-17-21-8-4-5-9-22(21)18-26-14-6-2-3-7-15-26/h4-5,8-9,19-20,24H,2-3,6-7,10-18H2,1H3,(H,25,27).
What are the key properties of N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide?
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide has a molecular weight of 371.57 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119869671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).