benzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate

C23H30N2O2 — CID 173218035

IUPACbenzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate
SMILESCC1CCN(CC(Cc2ccccc2)NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-19-12-14-25(15-13-19)17-22(16-20-8-4-2-5-9-20)24-23(26)27-18-21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3,(H,24,26)
InChIKeyCPCQJJNSDZZVRO-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.26
Rot. Bonds7

About benzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate

benzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate (PubChem CID 173218035) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is benzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate
PubChem CID173218035
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Namebenzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate
SMILESCC1CCN(CC(Cc2ccccc2)NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-19-12-14-25(15-13-19)17-22(16-20-8-4-2-5-9-20)24-23(26)27-18-21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3,(H,24,26)
InChIKeyCPCQJJNSDZZVRO-UHFFFAOYSA-N
XLogP4.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-4-[4-(aminomethyl)piperidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoate
CID 57224249
benzyl (2S)-2-[(4-methylpiperidine-1-carbonyl)amino]-3-phenylpropanoate
CID 54377577
methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 23213402
benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate
CID 18106493
(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propane-1-sulfonic acid
CID 98005835
benzyl N-[(2R)-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]carbamate
CID 68577444
benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate
CID 15222817
tert-butyl N-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate
CID 68815866
cyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate
CID 177124623
benzyl N-[(2S)-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 56569206
benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate
CID 11337603
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate (CID 173218035) is benzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate is CC1CCN(CC(Cc2ccccc2)NC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate?
The InChIKey is CPCQJJNSDZZVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-19-12-14-25(15-13-19)17-22(16-20-8-4-2-5-9-20)24-23(26)27-18-21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3,(H,24,26).
What are the key properties of benzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate?
benzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate has a molecular weight of 366.51 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 173218035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).