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

C21H33N5O3 — CID 71523242

IUPAC[1-[5-(dimethylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ccc(C(=O)N(C)C)cn3)CC2)CC1
InChIInChI=1S/C21H33N5O3/c1-16(2)24-11-13-26(14-12-24)21(28)29-18-7-9-25(10-8-18)19-6-5-17(15-22-19)20(27)23(3)4/h5-6,15-16,18H,7-14H2,1-4H3
InChIKeyGODZLFXTBSJQGQ-UHFFFAOYSA-N
MW403.53 g/mol
LogP1.91
Rot. Bonds4

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

[1-[5-(dimethylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 71523242) has the molecular formula C21H33N5O3 and a molecular weight of 403.53 g/mol. Its IUPAC name is [1-[5-(dimethylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-[5-(dimethylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID71523242
Molecular FormulaC21H33N5O3
Molecular Weight403.53 g/mol
Exact Mass403.26
IUPAC Name[1-[5-(dimethylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ccc(C(=O)N(C)C)cn3)CC2)CC1
InChIInChI=1S/C21H33N5O3/c1-16(2)24-11-13-26(14-12-24)21(28)29-18-7-9-25(10-8-18)19-6-5-17(15-22-19)20(27)23(3)4/h5-6,15-16,18H,7-14H2,1-4H3
InChIKeyGODZLFXTBSJQGQ-UHFFFAOYSA-N
XLogP1.91
TPSA69.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(5-methyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 90351301
[1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 90351266
6-[4-(2-aminoethoxy)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 82688178
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 112627949
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate
CID 71523156
[1-(3-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487945
[1-(6-isocyano-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 122198059
[1-(1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 71522599
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299
N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 58006679
1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one
CID 102546833
6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 115658002

Frequently Asked Questions

What is the IUPAC name of [1-[5-(dimethylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-[5-(dimethylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 71523242) is [1-[5-(dimethylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-[5-(dimethylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-[5-(dimethylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OC2CCN(c3ccc(C(=O)N(C)C)cn3)CC2)CC1.
What is the InChIKey of [1-[5-(dimethylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is GODZLFXTBSJQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3/c1-16(2)24-11-13-26(14-12-24)21(28)29-18-7-9-25(10-8-18)19-6-5-17(15-22-19)20(27)23(3)4/h5-6,15-16,18H,7-14H2,1-4H3.
What are the key properties of [1-[5-(dimethylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-[5-(dimethylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 403.53 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(dimethylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 71523242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).