N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide

C19H31N3O — CID 120884652

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)N(CCN)CCc2ccccc2)CC1
InChIInChI=1S/C19H31N3O/c1-16(2)21-13-9-18(10-14-21)19(23)22(15-11-20)12-8-17-6-4-3-5-7-17/h3-7,16,18H,8-15,20H2,1-2H3
InChIKeyLXPVQAWNDNFUFH-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.14
Rot. Bonds7

About N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide

N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 120884652) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID120884652
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)N(CCN)CCc2ccccc2)CC1
InChIInChI=1S/C19H31N3O/c1-16(2)21-13-9-18(10-14-21)19(23)22(15-11-20)12-8-17-6-4-3-5-7-17/h3-7,16,18H,8-15,20H2,1-2H3
InChIKeyLXPVQAWNDNFUFH-UHFFFAOYSA-N
XLogP2.14
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide;dihydrochloride
CID 120884651
N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
CID 120885911
4-N-(2-aminoethyl)-1-N,1-N-dimethyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 120885596
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347235
3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 120885796
N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120884310
N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 120885269
N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride
CID 120884901
N-(2-aminoethyl)-1-tert-butyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120885635
N-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide
CID 120886926
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide (CID 120884652) is N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide is CC(C)N1CCC(C(=O)N(CCN)CCc2ccccc2)CC1.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is LXPVQAWNDNFUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-16(2)21-13-9-18(10-14-21)19(23)22(15-11-20)12-8-17-6-4-3-5-7-17/h3-7,16,18H,8-15,20H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide?
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 317.48 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120884652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).