benzyl N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate

C20H27N5O2 — CID 66805489

IUPACbenzyl N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate
SMILESCN(C)c1nccc(N2CCC(N(C)C(=O)OCc3ccccc3)CC2)n1
InChIInChI=1S/C20H27N5O2/c1-23(2)19-21-12-9-18(22-19)25-13-10-17(11-14-25)24(3)20(26)27-15-16-7-5-4-6-8-16/h4-9,12,17H,10-11,13-15H2,1-3H3
InChIKeySTYFKBHRSWNJEK-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.78
Rot. Bonds5

About benzyl N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate

benzyl N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate (PubChem CID 66805489) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is benzyl N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate
PubChem CID66805489
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Namebenzyl N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate
SMILESCN(C)c1nccc(N2CCC(N(C)C(=O)OCc3ccccc3)CC2)n1
InChIInChI=1S/C20H27N5O2/c1-23(2)19-21-12-9-18(22-19)25-13-10-17(11-14-25)24(3)20(26)27-15-16-7-5-4-6-8-16/h4-9,12,17H,10-11,13-15H2,1-3H3
InChIKeySTYFKBHRSWNJEK-UHFFFAOYSA-N
XLogP2.78
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidin-4-amine
CID 159062460
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid
CID 64830048
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146
benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate
CID 178100467
2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid
CID 66566879
benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate
CID 155061465
benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate
CID 86589723
benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid
CID 118077491
benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate
CID 66566678

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of benzyl N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate (CID 66805489) is benzyl N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate is CN(C)c1nccc(N2CCC(N(C)C(=O)OCc3ccccc3)CC2)n1.
What is the InChIKey of benzyl N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate?
The InChIKey is STYFKBHRSWNJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-23(2)19-21-12-9-18(22-19)25-13-10-17(11-14-25)24(3)20(26)27-15-16-7-5-4-6-8-16/h4-9,12,17H,10-11,13-15H2,1-3H3.
What are the key properties of benzyl N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate?
benzyl N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate has a molecular weight of 369.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 66805489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).