N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide

C21H33N5O — CID 53165628

IUPACN-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(c2cncnc2N2CCCC2)CC1
InChIInChI=1S/C21H33N5O/c27-21(24-18-7-3-1-2-4-8-18)17-9-13-25(14-10-17)19-15-22-16-23-20(19)26-11-5-6-12-26/h15-18H,1-14H2,(H,24,27)
InChIKeyVDSIHBLBBVIFAB-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.13
Rot. Bonds4

About N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide

N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 53165628) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID53165628
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC NameN-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(c2cncnc2N2CCCC2)CC1
InChIInChI=1S/C21H33N5O/c27-21(24-18-7-3-1-2-4-8-18)17-9-13-25(14-10-17)19-15-22-16-23-20(19)26-11-5-6-12-26/h15-18H,1-14H2,(H,24,27)
InChIKeyVDSIHBLBBVIFAB-UHFFFAOYSA-N
XLogP3.13
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165881
N-(3-methoxypropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165697
morpholin-4-yl-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165660
N-cycloheptyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929218
N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146198
N-(furan-2-ylmethyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165720
N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165875
1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 83273239
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 95100791
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide
CID 133351817
N-cyclopentyl-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333849
[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165655

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 53165628) is N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(c2cncnc2N2CCCC2)CC1.
What is the InChIKey of N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is VDSIHBLBBVIFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c27-21(24-18-7-3-1-2-4-8-18)17-9-13-25(14-10-17)19-15-22-16-23-20(19)26-11-5-6-12-26/h15-18H,1-14H2,(H,24,27).
What are the key properties of N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53165628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).