N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide

C16H25N3O — CID 43206478

IUPACN-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC2CCN(C)CC2)c1
InChIInChI=1S/C16H25N3O/c1-12(17-15-7-9-19(3)10-8-15)14-5-4-6-16(11-14)18-13(2)20/h4-6,11-12,15,17H,7-10H2,1-3H3,(H,18,20)
InChIKeyPRKAHOUUVLXKEN-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.39
Rot. Bonds4

About N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide

N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide (PubChem CID 43206478) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
PubChem CID43206478
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC2CCN(C)CC2)c1
InChIInChI=1S/C16H25N3O/c1-12(17-15-7-9-19(3)10-8-15)14-5-4-6-16(11-14)18-13(2)20/h4-6,11-12,15,17H,7-10H2,1-3H3,(H,18,20)
InChIKeyPRKAHOUUVLXKEN-UHFFFAOYSA-N
XLogP2.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 115708260
N-[3-[1-[(3-methylcyclopentyl)amino]ethyl]phenyl]acetamide
CID 64500396
N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide
CID 43752163
N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide
CID 103786748
N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide
CID 104956122
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
CID 61465218
2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103240431
N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide
CID 60980286
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 43775785
N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide
CID 81386672
1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43426728
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzonitrile
CID 43775849

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide (CID 43206478) is N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NC2CCN(C)CC2)c1.
What is the InChIKey of N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide?
The InChIKey is PRKAHOUUVLXKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(17-15-7-9-19(3)10-8-15)14-5-4-6-16(11-14)18-13(2)20/h4-6,11-12,15,17H,7-10H2,1-3H3,(H,18,20).
What are the key properties of N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 43206478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).