3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide

C19H29N3O2 — CID 120579429

IUPAC3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)CCCc1ccccc1
InChIInChI=1S/C19H29N3O2/c20-13-12-18(23)21-15-17-10-4-5-14-22(17)19(24)11-6-9-16-7-2-1-3-8-16/h1-3,7-8,17H,4-6,9-15,20H2,(H,21,23)
InChIKeyIQROLFLZMJRNMV-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.86
Rot. Bonds8

About 3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide (PubChem CID 120579429) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
PubChem CID120579429
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)CCCc1ccccc1
InChIInChI=1S/C19H29N3O2/c20-13-12-18(23)21-15-17-10-4-5-14-22(17)19(24)11-6-9-16-7-2-1-3-8-16/h1-3,7-8,17H,4-6,9-15,20H2,(H,21,23)
InChIKeyIQROLFLZMJRNMV-UHFFFAOYSA-N
XLogP1.86
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480
3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
CID 120579103
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 81483955
3-amino-N-[[1-(3-pyridin-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
CID 120578303
3-amino-N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578219
3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120580099
3-amino-N-[[1-[4-(4-fluorophenoxy)butanoyl]piperidin-2-yl]methyl]propanamide
CID 120579145
3-amino-N-[[1-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578888
3-amino-N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578635
N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
CID 119313514
3-amino-N-[[1-[3-(2-fluorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120580345
5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120578395

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide (CID 120579429) is 3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1C(=O)CCCc1ccccc1.
What is the InChIKey of 3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide?
The InChIKey is IQROLFLZMJRNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c20-13-12-18(23)21-15-17-10-4-5-14-22(17)19(24)11-6-9-16-7-2-1-3-8-16/h1-3,7-8,17H,4-6,9-15,20H2,(H,21,23).
What are the key properties of 3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide has a molecular weight of 331.46 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120579429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).