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

C20H31N3O2 — CID 167312043

IUPACbenzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate
SMILESO=C(NCCN1CCC(C2CCNCC2)CC1)OCc1ccccc1
InChIInChI=1S/C20H31N3O2/c24-20(25-16-17-4-2-1-3-5-17)22-12-15-23-13-8-19(9-14-23)18-6-10-21-11-7-18/h1-5,18-19,21H,6-16H2,(H,22,24)
InChIKeyIFNOBUASLAJWJU-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.62
Rot. Bonds6

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

benzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate (PubChem CID 167312043) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is benzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate
PubChem CID167312043
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Namebenzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate
SMILESO=C(NCCN1CCC(C2CCNCC2)CC1)OCc1ccccc1
InChIInChI=1S/C20H31N3O2/c24-20(25-16-17-4-2-1-3-5-17)22-12-15-23-13-8-19(9-14-23)18-6-10-21-11-7-18/h1-5,18-19,21H,6-16H2,(H,22,24)
InChIKeyIFNOBUASLAJWJU-UHFFFAOYSA-N
XLogP2.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate (CID 167312043) is benzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate is O=C(NCCN1CCC(C2CCNCC2)CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate?
The InChIKey is IFNOBUASLAJWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-20(25-16-17-4-2-1-3-5-17)22-12-15-23-13-8-19(9-14-23)18-6-10-21-11-7-18/h1-5,18-19,21H,6-16H2,(H,22,24).
What are the key properties of benzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate?
benzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate has a molecular weight of 345.49 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 167312043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).