N-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide

C16H23N5O — CID 166295473

IUPACN-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide
SMILESO=C(Nc1cnc(N2CCNCC2)nc1)C1CCC12CCC2
InChIInChI=1S/C16H23N5O/c22-14(13-2-5-16(13)3-1-4-16)20-12-10-18-15(19-11-12)21-8-6-17-7-9-21/h10-11,13,17H,1-9H2,(H,20,22)
InChIKeyCCBGDWZUNUBTSO-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.40
Rot. Bonds3

About N-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide

N-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide (PubChem CID 166295473) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide
PubChem CID166295473
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide
SMILESO=C(Nc1cnc(N2CCNCC2)nc1)C1CCC12CCC2
InChIInChI=1S/C16H23N5O/c22-14(13-2-5-16(13)3-1-4-16)20-12-10-18-15(19-11-12)21-8-6-17-7-9-21/h10-11,13,17H,1-9H2,(H,20,22)
InChIKeyCCBGDWZUNUBTSO-UHFFFAOYSA-N
XLogP1.40
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide
CID 128764131
1-(2-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea
CID 128764240
1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea
CID 128764238
6-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-3-carboxamide
CID 122298657
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide
CID 122299328
N-(2-piperazin-1-ylpyrimidin-5-yl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 161311002
1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride
CID 154810154
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
CID 122299154
2-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)acetamide
CID 119260362
N-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide
CID 56904879
3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide
CID 122298424
ethane;(4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone
CID 155711023

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide (CID 166295473) is N-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide is O=C(Nc1cnc(N2CCNCC2)nc1)C1CCC12CCC2.
What is the InChIKey of N-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide?
The InChIKey is CCBGDWZUNUBTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c22-14(13-2-5-16(13)3-1-4-16)20-12-10-18-15(19-11-12)21-8-6-17-7-9-21/h10-11,13,17H,1-9H2,(H,20,22).
What are the key properties of N-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide?
N-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide is sourced from PubChem (CID 166295473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).