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

C20H29N3O3 — CID 167462983

IUPACbenzyl N-[1-(2-piperidin-4-ylacetyl)piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C(=O)CC2CCNCC2)CC1)OCc1ccccc1
InChIInChI=1S/C20H29N3O3/c24-19(14-16-6-10-21-11-7-16)23-12-8-18(9-13-23)22-20(25)26-15-17-4-2-1-3-5-17/h1-5,16,18,21H,6-15H2,(H,22,25)
InChIKeyOGZFRIKGNZJDCL-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.29
Rot. Bonds5

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

benzyl N-[1-(2-piperidin-4-ylacetyl)piperidin-4-yl]carbamate (PubChem CID 167462983) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is benzyl N-[1-(2-piperidin-4-ylacetyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2-piperidin-4-ylacetyl)piperidin-4-yl]carbamate
PubChem CID167462983
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Namebenzyl N-[1-(2-piperidin-4-ylacetyl)piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C(=O)CC2CCNCC2)CC1)OCc1ccccc1
InChIInChI=1S/C20H29N3O3/c24-19(14-16-6-10-21-11-7-16)23-12-8-18(9-13-23)22-20(25)26-15-17-4-2-1-3-5-17/h1-5,16,18,21H,6-15H2,(H,22,25)
InChIKeyOGZFRIKGNZJDCL-UHFFFAOYSA-N
XLogP2.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
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benzyl N-[1-(4-bromobut-2-enoyl)piperidin-4-yl]carbamate
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tert-butyl N-[1-[N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate
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CID 108564276

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2-piperidin-4-ylacetyl)piperidin-4-yl]carbamate?
The IUPAC name of benzyl N-[1-(2-piperidin-4-ylacetyl)piperidin-4-yl]carbamate (CID 167462983) is benzyl N-[1-(2-piperidin-4-ylacetyl)piperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(2-piperidin-4-ylacetyl)piperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[1-(2-piperidin-4-ylacetyl)piperidin-4-yl]carbamate is O=C(NC1CCN(C(=O)CC2CCNCC2)CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(2-piperidin-4-ylacetyl)piperidin-4-yl]carbamate?
The InChIKey is OGZFRIKGNZJDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-19(14-16-6-10-21-11-7-16)23-12-8-18(9-13-23)22-20(25)26-15-17-4-2-1-3-5-17/h1-5,16,18,21H,6-15H2,(H,22,25).
What are the key properties of benzyl N-[1-(2-piperidin-4-ylacetyl)piperidin-4-yl]carbamate?
benzyl N-[1-(2-piperidin-4-ylacetyl)piperidin-4-yl]carbamate has a molecular weight of 359.47 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2-piperidin-4-ylacetyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 167462983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).