2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide

C18H29N3O — CID 119164761

IUPAC2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-2-11-19-18(22)15-20-17-9-13-21(14-10-17)12-8-16-6-4-3-5-7-16/h3-7,17,20H,2,8-15H2,1H3,(H,19,22)
InChIKeyYAPOJDMIGKSUBJ-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.81
Rot. Bonds8

About 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide

2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide (PubChem CID 119164761) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide
PubChem CID119164761
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-2-11-19-18(22)15-20-17-9-13-21(14-10-17)12-8-16-6-4-3-5-7-16/h3-7,17,20H,2,8-15H2,1H3,(H,19,22)
InChIKeyYAPOJDMIGKSUBJ-UHFFFAOYSA-N
XLogP1.81
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]acetamide
CID 61212881
N,N-dimethyl-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]acetamide
CID 60796882
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide
CID 119165178
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide
CID 65073911
N-(2-phenylethyl)-1-propylazepan-4-amine
CID 65072843
2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol
CID 63239768
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119844580
4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid
CID 122127811

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide?
The IUPAC name of 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide (CID 119164761) is 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide is CCCNC(=O)CNC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide?
The InChIKey is YAPOJDMIGKSUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-2-11-19-18(22)15-20-17-9-13-21(14-10-17)12-8-16-6-4-3-5-7-16/h3-7,17,20H,2,8-15H2,1H3,(H,19,22).
What are the key properties of 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide?
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide has a molecular weight of 303.45 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide is sourced from PubChem (CID 119164761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).