(3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide

C19H24N4O2 — CID 94153158

IUPAC(3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)Nc2cccc(Cn3cccnc3=O)c2)C1
InChIInChI=1S/C19H24N4O2/c1-14-9-15(2)12-23(11-14)19(25)21-17-6-3-5-16(10-17)13-22-8-4-7-20-18(22)24/h3-8,10,14-15H,9,11-13H2,1-2H3,(H,21,25)/t14-,15-/m1/s1
InChIKeyHKFACLWMFQRVKU-HUUCEWRRSA-N
MW340.43 g/mol
LogP2.80
Rot. Bonds3

About (3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide

(3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide (PubChem CID 94153158) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
PubChem CID94153158
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)Nc2cccc(Cn3cccnc3=O)c2)C1
InChIInChI=1S/C19H24N4O2/c1-14-9-15(2)12-23(11-14)19(25)21-17-6-3-5-16(10-17)13-22-8-4-7-20-18(22)24/h3-8,10,14-15H,9,11-13H2,1-2H3,(H,21,25)/t14-,15-/m1/s1
InChIKeyHKFACLWMFQRVKU-HUUCEWRRSA-N
XLogP2.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide with MolForge

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Related Compounds

4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide
CID 47050358
N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 47050346
4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
CID 166199824
(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 167757482
(3R)-3-hydroxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 111431403
9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986638
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61192662
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 166181142
3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111443078
2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 47746600
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 47050365

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide (CID 94153158) is (3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide is C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cccc(Cn3cccnc3=O)c2)C1.
What is the InChIKey of (3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide?
The InChIKey is HKFACLWMFQRVKU-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-9-15(2)12-23(11-14)19(25)21-17-6-3-5-16(10-17)13-22-8-4-7-20-18(22)24/h3-8,10,14-15H,9,11-13H2,1-2H3,(H,21,25)/t14-,15-/m1/s1.
What are the key properties of (3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide?
(3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 94153158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).