N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide

C20H31N5O — CID 56865488

IUPACN-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)n1
InChIInChI=1S/C20H31N5O/c1-14-12-15(2)22-20(21-14)24-10-7-18(8-11-24)25-9-3-4-16(13-25)19(26)23-17-5-6-17/h12,16-18H,3-11,13H2,1-2H3,(H,23,26)
InChIKeyYMDIWPUTGITVDZ-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.05
Rot. Bonds4

About N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide

N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56865488) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56865488
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC NameN-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)n1
InChIInChI=1S/C20H31N5O/c1-14-12-15(2)22-20(21-14)24-10-7-18(8-11-24)25-9-3-4-16(13-25)19(26)23-17-5-6-17/h12,16-18H,3-11,13H2,1-2H3,(H,23,26)
InChIKeyYMDIWPUTGITVDZ-UHFFFAOYSA-N
XLogP2.05
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 166603024
(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95551990
[(3S)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95554392
(3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96580711
1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 56877941
N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56863023
(3R)-N-cyclopropyl-1-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95551879
(3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide
CID 95557835
[(3R)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552563
N-cyclopropyl-1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56861783
(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95415295
[(3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552562

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide (CID 56865488) is N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide is Cc1cc(C)nc(N2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)n1.
What is the InChIKey of N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is YMDIWPUTGITVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-14-12-15(2)22-20(21-14)24-10-7-18(8-11-24)25-9-3-4-16(13-25)19(26)23-17-5-6-17/h12,16-18H,3-11,13H2,1-2H3,(H,23,26).
What are the key properties of N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56865488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).