(2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide

C22H34N4O3 — CID 23738120

IUPAC(2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
SMILESCOCC(=O)N1CCC(N(Cc2ccc(C)cc2)C2CC2)C[C@@H]1C(=O)NCCN
InChIInChI=1S/C22H34N4O3/c1-16-3-5-17(6-4-16)14-26(18-7-8-18)19-9-12-25(21(27)15-29-2)20(13-19)22(28)24-11-10-23/h3-6,18-20H,7-15,23H2,1-2H3,(H,24,28)/t19?,20-/m1/s1
InChIKeyQUPKGULLXCZCSD-GFOWMXPYSA-N
MW402.54 g/mol
LogP1.04
Rot. Bonds9

About (2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide

(2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide (PubChem CID 23738120) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is (2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
PubChem CID23738120
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name(2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
SMILESCOCC(=O)N1CCC(N(Cc2ccc(C)cc2)C2CC2)C[C@@H]1C(=O)NCCN
InChIInChI=1S/C22H34N4O3/c1-16-3-5-17(6-4-16)14-26(18-7-8-18)19-9-12-25(21(27)15-29-2)20(13-19)22(28)24-11-10-23/h3-6,18-20H,7-15,23H2,1-2H3,(H,24,28)/t19?,20-/m1/s1
InChIKeyQUPKGULLXCZCSD-GFOWMXPYSA-N
XLogP1.04
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide
CID 23992530
(2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
CID 23762319
(2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
CID 23827261
N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 23908203
N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 23852063
(2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide
CID 23792648
(2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]piperidine-2-carboxamide
CID 23913504
N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]pyrrolidine-2-carboxamide
CID 23905595
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]piperidine-2-carboxamide
CID 23933944
(2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide
CID 23821442
N-(2-aminoethyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 23766073
N-(2-aminoethyl)-1-(3-methoxybenzoyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide
CID 23962746

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide (CID 23738120) is (2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide is COCC(=O)N1CCC(N(Cc2ccc(C)cc2)C2CC2)C[C@@H]1C(=O)NCCN.
What is the InChIKey of (2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide?
The InChIKey is QUPKGULLXCZCSD-GFOWMXPYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-16-3-5-17(6-4-16)14-26(18-7-8-18)19-9-12-25(21(27)15-29-2)20(13-19)22(28)24-11-10-23/h3-6,18-20H,7-15,23H2,1-2H3,(H,24,28)/t19?,20-/m1/s1.
What are the key properties of (2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide?
(2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide is sourced from PubChem (CID 23738120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).