benzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate

C29H30N4O2 — CID 90986865

IUPACbenzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate
SMILESO=C(NCCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1)OCc1ccccc1
InChIInChI=1S/C29H30N4O2/c34-29(35-21-23-6-2-1-3-7-23)31-16-12-22-14-18-33(19-15-22)28-30-17-13-27(32-28)26-11-10-24-8-4-5-9-25(24)20-26/h1-11,13,17,20,22H,12,14-16,18-19,21H2,(H,31,34)
InChIKeyVTWYCGFFRQKPDR-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.83
Rot. Bonds7

About benzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate

benzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate (PubChem CID 90986865) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is benzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate
PubChem CID90986865
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Namebenzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate
SMILESO=C(NCCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1)OCc1ccccc1
InChIInChI=1S/C29H30N4O2/c34-29(35-21-23-6-2-1-3-7-23)31-16-12-22-14-18-33(19-15-22)28-30-17-13-27(32-28)26-11-10-24-8-4-5-9-25(24)20-26/h1-11,13,17,20,22H,12,14-16,18-19,21H2,(H,31,34)
InChIKeyVTWYCGFFRQKPDR-UHFFFAOYSA-N
XLogP5.83
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide
CID 68728512
2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 69083843
2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid
CID 69077782
[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate
CID 91343706
[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methylcarbamic acid
CID 68730055
[(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid
CID 69082107
(2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate
CID 68573837
2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68728464
(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate
CID 58032701
2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68727753
methyl-[2-[methyl-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]amino]ethyl]carbamic acid
CID 68728830
1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 68726054

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate (CID 90986865) is benzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate is O=C(NCCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate?
The InChIKey is VTWYCGFFRQKPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c34-29(35-21-23-6-2-1-3-7-23)31-16-12-22-14-18-33(19-15-22)28-30-17-13-27(32-28)26-11-10-24-8-4-5-9-25(24)20-26/h1-11,13,17,20,22H,12,14-16,18-19,21H2,(H,31,34).
What are the key properties of benzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate?
benzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate has a molecular weight of 466.59 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 90986865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).