(2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide

C20H24N4O3 — CID 95717707

IUPAC(2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCNC[C@@H]1C(=O)NCc1ccccn1
InChIInChI=1S/C20H24N4O3/c1-2-27-18-9-4-3-8-16(18)20(26)24-12-11-21-14-17(24)19(25)23-13-15-7-5-6-10-22-15/h3-10,17,21H,2,11-14H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyOIDQCMFKBHDNAC-QGZVFWFLSA-N
MW368.44 g/mol
LogP1.21
Rot. Bonds6

About (2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide

(2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide (PubChem CID 95717707) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
PubChem CID95717707
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCNC[C@@H]1C(=O)NCc1ccccn1
InChIInChI=1S/C20H24N4O3/c1-2-27-18-9-4-3-8-16(18)20(26)24-12-11-21-14-17(24)19(25)23-13-15-7-5-6-10-22-15/h3-10,17,21H,2,11-14H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyOIDQCMFKBHDNAC-QGZVFWFLSA-N
XLogP1.21
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 56884685
1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 56885089
(2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
CID 95717599
N-ethyl-1-(3-methoxypyridine-4-carbonyl)piperazine-2-carboxamide
CID 105064126
1-(2-ethoxybenzoyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxamide
CID 138998505
1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004432
1-(2-ethoxybenzoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 136576678
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 56576280
4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 42820110
(2-methoxyphenyl)-[2-(pyridin-2-yloxymethyl)piperazin-1-yl]methanone
CID 91561336
1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3316052
(2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 63909598

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide (CID 95717707) is (2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide is CCOc1ccccc1C(=O)N1CCNC[C@@H]1C(=O)NCc1ccccn1.
What is the InChIKey of (2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
The InChIKey is OIDQCMFKBHDNAC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-2-27-18-9-4-3-8-16(18)20(26)24-12-11-21-14-17(24)19(25)23-13-15-7-5-6-10-22-15/h3-10,17,21H,2,11-14H2,1H3,(H,23,25)/t17-/m1/s1.
What are the key properties of (2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
(2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 95717707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).