N-[[2-(4-aminopiperidin-1-yl)phenyl]methyl]propanamide

C15H23N3O — CID 91462308

IUPACN-[[2-(4-aminopiperidin-1-yl)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccccc1N1CCC(N)CC1
InChIInChI=1S/C15H23N3O/c1-2-15(19)17-11-12-5-3-4-6-14(12)18-9-7-13(16)8-10-18/h3-6,13H,2,7-11,16H2,1H3,(H,17,19)
InChIKeyVVGFFOZAYKBPFD-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.64
Rot. Bonds4

About N-[[2-(4-aminopiperidin-1-yl)phenyl]methyl]propanamide

N-[[2-(4-aminopiperidin-1-yl)phenyl]methyl]propanamide (PubChem CID 91462308) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[2-(4-aminopiperidin-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-(4-aminopiperidin-1-yl)phenyl]methyl]propanamide
PubChem CID91462308
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[2-(4-aminopiperidin-1-yl)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccccc1N1CCC(N)CC1
InChIInChI=1S/C15H23N3O/c1-2-15(19)17-11-12-5-3-4-6-14(12)18-9-7-13(16)8-10-18/h3-6,13H,2,7-11,16H2,1H3,(H,17,19)
InChIKeyVVGFFOZAYKBPFD-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide
CID 51096915
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide
CID 56517889
ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate
CID 60580696
N-ethyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43221678
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
CID 56517214
2-acetamido-2-cyclopentyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 55981326
N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide
CID 175142313
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 56517124
methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate
CID 75440397

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-aminopiperidin-1-yl)phenyl]methyl]propanamide?
The IUPAC name of N-[[2-(4-aminopiperidin-1-yl)phenyl]methyl]propanamide (CID 91462308) is N-[[2-(4-aminopiperidin-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for N-[[2-(4-aminopiperidin-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for N-[[2-(4-aminopiperidin-1-yl)phenyl]methyl]propanamide is CCC(=O)NCc1ccccc1N1CCC(N)CC1.
What is the InChIKey of N-[[2-(4-aminopiperidin-1-yl)phenyl]methyl]propanamide?
The InChIKey is VVGFFOZAYKBPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-15(19)17-11-12-5-3-4-6-14(12)18-9-7-13(16)8-10-18/h3-6,13H,2,7-11,16H2,1H3,(H,17,19).
What are the key properties of N-[[2-(4-aminopiperidin-1-yl)phenyl]methyl]propanamide?
N-[[2-(4-aminopiperidin-1-yl)phenyl]methyl]propanamide has a molecular weight of 261.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-aminopiperidin-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 91462308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).