N-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide

C16H25N3O — CID 43398950

IUPACN-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide
SMILESCCNC(=O)CNCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-2-18-16(20)13-17-12-14-6-8-15(9-7-14)19-10-4-3-5-11-19/h6-9,17H,2-5,10-13H2,1H3,(H,18,20)
InChIKeyWBMGHLBKJCBSJS-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.90
Rot. Bonds6

About N-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide

N-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide (PubChem CID 43398950) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide
PubChem CID43398950
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide
SMILESCCNC(=O)CNCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-2-18-16(20)13-17-12-14-6-8-15(9-7-14)19-10-4-3-5-11-19/h6-9,17H,2-5,10-13H2,1H3,(H,18,20)
InChIKeyWBMGHLBKJCBSJS-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43777709
N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43777789
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
ethyl 2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetate
CID 54921268
N-ethyl-2-[(4-piperidin-1-ylphenyl)carbamoylamino]acetamide
CID 86986680
2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]prop-2-en-1-amine
CID 115614908
(E)-3-[4-(azepan-1-yl)phenyl]-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide
CID 9224931
N-ethyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43221678
N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
CID 29042784
1-[(4-piperidin-1-ylphenyl)methyl]-3-propan-2-ylurea
CID 47278796
2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide
CID 43398927
1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide?
The IUPAC name of N-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide (CID 43398950) is N-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide?
The canonical SMILES for N-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide is CCNC(=O)CNCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide?
The InChIKey is WBMGHLBKJCBSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-18-16(20)13-17-12-14-6-8-15(9-7-14)19-10-4-3-5-11-19/h6-9,17H,2-5,10-13H2,1H3,(H,18,20).
What are the key properties of N-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide?
N-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide is sourced from PubChem (CID 43398950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).