[1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C20H31N5O3 — CID 89487999

IUPAC[1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCNC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)nc1
InChIInChI=1S/C20H31N5O3/c1-15(2)23-10-12-25(13-11-23)20(27)28-17-6-8-24(9-7-17)18-5-4-16(14-22-18)19(26)21-3/h4-5,14-15,17H,6-13H2,1-3H3,(H,21,26)
InChIKeyGVPMESFZKNAJPG-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.57
Rot. Bonds4

About [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487999) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487999
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Name[1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCNC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)nc1
InChIInChI=1S/C20H31N5O3/c1-15(2)23-10-12-25(13-11-23)20(27)28-17-6-8-24(9-7-17)18-5-4-16(14-22-18)19(26)21-3/h4-5,14-15,17H,6-13H2,1-3H3,(H,21,26)
InChIKeyGVPMESFZKNAJPG-UHFFFAOYSA-N
XLogP1.57
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
Dipyridodiazepinone deriv. 21
CID 463148
Dipyridodiazepinone deriv. 24
CID 463151
Dipyridodiazepinone deriv. 35
CID 463555
N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10764021
N-[(3S)-1-[6-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 146592641
N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 146637370
3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
CID 146637372
N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040782
2-(Piperazin-1-yl)pyridine-3-carboxamide
CID 16785637
Dipyridodiazepinone deriv. 20
CID 463147

Frequently Asked Questions

What is the IUPAC name of [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487999) is [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is CNC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)nc1.
What is the InChIKey of [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is GVPMESFZKNAJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-15(2)23-10-12-25(13-11-23)20(27)28-17-6-8-24(9-7-17)18-5-4-16(14-22-18)19(26)21-3/h4-5,14-15,17H,6-13H2,1-3H3,(H,21,26).
What are the key properties of [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 389.50 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(methylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).