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

C17H27N5O — CID 119897645

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1cc(N2CCC(NC(=O)C3CCCNC3)CC2)nc(C)n1
InChIInChI=1S/C17H27N5O/c1-12-10-16(20-13(2)19-12)22-8-5-15(6-9-22)21-17(23)14-4-3-7-18-11-14/h10,14-15,18H,3-9,11H2,1-2H3,(H,21,23)
InChIKeyCLTHWKDWYSPXHX-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.18
Rot. Bonds3

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

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 119897645) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID119897645
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1cc(N2CCC(NC(=O)C3CCCNC3)CC2)nc(C)n1
InChIInChI=1S/C17H27N5O/c1-12-10-16(20-13(2)19-12)22-8-5-15(6-9-22)21-17(23)14-4-3-7-18-11-14/h10,14-15,18H,3-9,11H2,1-2H3,(H,21,23)
InChIKeyCLTHWKDWYSPXHX-UHFFFAOYSA-N
XLogP1.18
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide
CID 120638469
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 71977383
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide
CID 126778638
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119897687
(3S)-N-cyclobutylpiperidine-3-carboxamide
CID 81141296
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide
CID 146126539
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432411
(3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 81124488
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide
CID 146126199
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride
CID 119899482
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 136580514
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 126779994

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide (CID 119897645) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide is Cc1cc(N2CCC(NC(=O)C3CCCNC3)CC2)nc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is CLTHWKDWYSPXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-12-10-16(20-13(2)19-12)22-8-5-15(6-9-22)21-17(23)14-4-3-7-18-11-14/h10,14-15,18H,3-9,11H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 119897645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).