benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)ethyl]-N-piperidin-4-ylcarbamate

C21H28N4O2 — CID 66798661

IUPACbenzyl N-[1-(2,6-dimethylpyrimidin-4-yl)ethyl]-N-piperidin-4-ylcarbamate
SMILESCc1cc(C(C)N(C(=O)OCc2ccccc2)C2CCNCC2)nc(C)n1
InChIInChI=1S/C21H28N4O2/c1-15-13-20(24-17(3)23-15)16(2)25(19-9-11-22-12-10-19)21(26)27-14-18-7-5-4-6-8-18/h4-8,13,16,19,22H,9-12,14H2,1-3H3
InChIKeyJEXKIIMSDJVLSF-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.55
Rot. Bonds5

About benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)ethyl]-N-piperidin-4-ylcarbamate

benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)ethyl]-N-piperidin-4-ylcarbamate (PubChem CID 66798661) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)ethyl]-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2,6-dimethylpyrimidin-4-yl)ethyl]-N-piperidin-4-ylcarbamate
PubChem CID66798661
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Namebenzyl N-[1-(2,6-dimethylpyrimidin-4-yl)ethyl]-N-piperidin-4-ylcarbamate
SMILESCc1cc(C(C)N(C(=O)OCc2ccccc2)C2CCNCC2)nc(C)n1
InChIInChI=1S/C21H28N4O2/c1-15-13-20(24-17(3)23-15)16(2)25(19-9-11-22-12-10-19)21(26)27-14-18-7-5-4-6-8-18/h4-8,13,16,19,22H,9-12,14H2,1-3H3
InChIKeyJEXKIIMSDJVLSF-UHFFFAOYSA-N
XLogP3.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-butan-2-yl-N-piperidin-4-ylcarbamate
CID 18677686
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
(2R)-3-oxo-3-phenylmethoxy-2-[phenylmethoxycarbonyl(pyrrolidin-3-yl)amino]propanoic acid
CID 68577473
benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
CID 66569385
benzyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate
CID 171068971
benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid
CID 118077491
2-[cyclopropyl(phenylmethoxycarbonyl)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
CID 104862961
benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 106484429
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate
CID 96555674
benzyl piperidine-4-carboxylate;ethanol
CID 158740080
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)ethyl]-N-piperidin-4-ylcarbamate?
The IUPAC name of benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)ethyl]-N-piperidin-4-ylcarbamate (CID 66798661) is benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)ethyl]-N-piperidin-4-ylcarbamate.
What is the SMILES notation for benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)ethyl]-N-piperidin-4-ylcarbamate?
The canonical SMILES for benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)ethyl]-N-piperidin-4-ylcarbamate is Cc1cc(C(C)N(C(=O)OCc2ccccc2)C2CCNCC2)nc(C)n1.
What is the InChIKey of benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)ethyl]-N-piperidin-4-ylcarbamate?
The InChIKey is JEXKIIMSDJVLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-13-20(24-17(3)23-15)16(2)25(19-9-11-22-12-10-19)21(26)27-14-18-7-5-4-6-8-18/h4-8,13,16,19,22H,9-12,14H2,1-3H3.
What are the key properties of benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)ethyl]-N-piperidin-4-ylcarbamate?
benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)ethyl]-N-piperidin-4-ylcarbamate has a molecular weight of 368.48 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)ethyl]-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 66798661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).