(2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide

C23H36N4O4 — CID 23827261

IUPAC(2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
SMILESCOCC(=O)N1CCC(N(Cc2ccccc2)CC2CCCO2)C[C@@H]1C(=O)NCCN
InChIInChI=1S/C23H36N4O4/c1-30-17-22(28)27-12-9-19(14-21(27)23(29)25-11-10-24)26(16-20-8-5-13-31-20)15-18-6-3-2-4-7-18/h2-4,6-7,19-21H,5,8-17,24H2,1H3,(H,25,29)/t19?,20?,21-/m1/s1
InChIKeyNNUJRPXMMHRODZ-XVAXZDLZSA-N
MW432.57 g/mol
LogP0.75
Rot. Bonds10

About (2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide

(2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide (PubChem CID 23827261) has the molecular formula C23H36N4O4 and a molecular weight of 432.57 g/mol. Its IUPAC name is (2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
PubChem CID23827261
Molecular FormulaC23H36N4O4
Molecular Weight432.57 g/mol
Exact Mass432.27
IUPAC Name(2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
SMILESCOCC(=O)N1CCC(N(Cc2ccccc2)CC2CCCO2)C[C@@H]1C(=O)NCCN
InChIInChI=1S/C23H36N4O4/c1-30-17-22(28)27-12-9-19(14-21(27)23(29)25-11-10-24)26(16-20-8-5-13-31-20)15-18-6-3-2-4-7-18/h2-4,6-7,19-21H,5,8-17,24H2,1H3,(H,25,29)/t19?,20?,21-/m1/s1
InChIKeyNNUJRPXMMHRODZ-XVAXZDLZSA-N
XLogP0.75
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 23908203
(2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
CID 23738120
N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 23848354
N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide
CID 23992530
(2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide
CID 23821442
(2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 23961673
N-(2-aminoethyl)-4-[cyclopropanecarbonyl(oxolan-2-ylmethyl)amino]-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 23738249
N-(2-aminoethyl)-4-[cyclohexylmethyl(oxolan-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23768567
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
(2R,4S)-4-(dibenzylamino)-1-methoxycarbonylpiperidine-2-carboxylic acid
CID 175879442
(2R)-N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 23819818

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide (CID 23827261) is (2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide is COCC(=O)N1CCC(N(Cc2ccccc2)CC2CCCO2)C[C@@H]1C(=O)NCCN.
What is the InChIKey of (2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide?
The InChIKey is NNUJRPXMMHRODZ-XVAXZDLZSA-N. The full InChI is InChI=1S/C23H36N4O4/c1-30-17-22(28)27-12-9-19(14-21(27)23(29)25-11-10-24)26(16-20-8-5-13-31-20)15-18-6-3-2-4-7-18/h2-4,6-7,19-21H,5,8-17,24H2,1H3,(H,25,29)/t19?,20?,21-/m1/s1.
What are the key properties of (2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide?
(2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 0.75, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide is sourced from PubChem (CID 23827261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).