3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide

C17H26N4O2 — CID 120885796

IUPAC3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
SMILESNCCN(CCc1ccccc1)C(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C17H26N4O2/c18-9-12-20(11-8-14-5-2-1-3-6-14)16(22)15-7-4-10-21(13-15)17(19)23/h1-3,5-6,15H,4,7-13,18H2,(H2,19,23)
InChIKeyOERWKYUQSLIEFE-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.81
Rot. Bonds6

About 3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide

3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide (PubChem CID 120885796) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
PubChem CID120885796
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
SMILESNCCN(CCc1ccccc1)C(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C17H26N4O2/c18-9-12-20(11-8-14-5-2-1-3-6-14)16(22)15-7-4-10-21(13-15)17(19)23/h1-3,5-6,15H,4,7-13,18H2,(H2,19,23)
InChIKeyOERWKYUQSLIEFE-UHFFFAOYSA-N
XLogP0.81
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(S)-Amino-4-phenethylamino-1-piperidin-1-yl-butan-1-one
CID 11437726
N~1~-(2-Oxo-2-piperidinoethyl)-2-phenylacetamide
CID 2221618
N~1~-{2-Oxo-2-[(2-oxo-2-piperidinoethyl)amino]ethyl}-2-phenylacetamide
CID 2976767
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
2-(1-isopropyl-3-oxopiperazin-2-yl)-N-(3-phenylpropyl)acetamide
CID 23723417
N-[2-(dimethylamino)ethyl]-3-[1-(1-methyl-3-phenylpropyl)piperidin-4-yl]propanamide
CID 23723520
1-(2-Phenylethyl)-3-piperidinecarboxamide
CID 2845828
1-(trans-2-Phenylcyclopropyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49782571
2-phenyl-N-[3-[4-[3-[(2-phenylacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
CID 3246744
Piperidine, 1-(N-phenylalanyl)-
CID 715789
1-Piperazinecarboxamide, 4-methyl-N-((5-oxo-1-(phenylmethyl)-3-pyrrolidinyl)methyl)-
CID 3025487
3-Amino-1-[4-(3-phenyl-propyl)-piperazin-1-yl]-propan-1-one
CID 401843

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide (CID 120885796) is 3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide is NCCN(CCc1ccccc1)C(=O)C1CCCN(C(N)=O)C1.
What is the InChIKey of 3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
The InChIKey is OERWKYUQSLIEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c18-9-12-20(11-8-14-5-2-1-3-6-14)16(22)15-7-4-10-21(13-15)17(19)23/h1-3,5-6,15H,4,7-13,18H2,(H2,19,23).
What are the key properties of 3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide has a molecular weight of 318.42 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 120885796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).