2-amino-3-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbutanamide

C19H31N3O — CID 91521407

IUPAC2-amino-3-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(N)C(C)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C19H31N3O/c1-14(2)21-19(23)18(20)15(3)17-9-7-16(8-10-17)13-22-11-5-4-6-12-22/h7-10,14-15,18H,4-6,11-13,20H2,1-3H3,(H,21,23)
InChIKeyBGFCKNCAVRVBPC-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.63
Rot. Bonds6

About 2-amino-3-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbutanamide

2-amino-3-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbutanamide (PubChem CID 91521407) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-amino-3-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-amino-3-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbutanamide
PubChem CID91521407
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-amino-3-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(N)C(C)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C19H31N3O/c1-14(2)21-19(23)18(20)15(3)17-9-7-16(8-10-17)13-22-11-5-4-6-12-22/h7-10,14-15,18H,4-6,11-13,20H2,1-3H3,(H,21,23)
InChIKeyBGFCKNCAVRVBPC-UHFFFAOYSA-N
XLogP2.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
3-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide
CID 119867293
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
2-methylpropyl 4-(piperidin-1-ylmethyl)benzoate
CID 18710312
(2S)-2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119867271
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116
(2S)-2-amino-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119836236
2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 119867241
3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine
CID 117368922
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 25493079

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbutanamide?
The IUPAC name of 2-amino-3-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbutanamide (CID 91521407) is 2-amino-3-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-amino-3-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbutanamide?
The canonical SMILES for 2-amino-3-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbutanamide is CC(C)NC(=O)C(N)C(C)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 2-amino-3-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbutanamide?
The InChIKey is BGFCKNCAVRVBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-14(2)21-19(23)18(20)15(3)17-9-7-16(8-10-17)13-22-11-5-4-6-12-22/h7-10,14-15,18H,4-6,11-13,20H2,1-3H3,(H,21,23).
What are the key properties of 2-amino-3-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbutanamide?
2-amino-3-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbutanamide has a molecular weight of 317.48 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbutanamide is sourced from PubChem (CID 91521407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).