benzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate

C20H30N2O2 — CID 112544983

IUPACbenzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate
SMILESCC(C)N1CC(CC2CC2)CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H30N2O2/c1-15(2)22-12-18(10-16-8-9-16)11-19(13-22)21-20(23)24-14-17-6-4-3-5-7-17/h3-7,15-16,18-19H,8-14H2,1-2H3,(H,21,23)
InChIKeyCEPOWUXFWURDFL-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.81
Rot. Bonds6

About benzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate

benzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate (PubChem CID 112544983) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is benzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate
PubChem CID112544983
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Namebenzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate
SMILESCC(C)N1CC(CC2CC2)CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H30N2O2/c1-15(2)22-12-18(10-16-8-9-16)11-19(13-22)21-20(23)24-14-17-6-4-3-5-7-17/h3-7,15-16,18-19H,8-14H2,1-2H3,(H,21,23)
InChIKeyCEPOWUXFWURDFL-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545085
benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112544957
benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate
CID 112545084
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid
CID 165486263
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate
CID 112545027
benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545097
benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
CID 103392982
benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate
CID 112545058

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate?
The IUPAC name of benzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate (CID 112544983) is benzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate is CC(C)N1CC(CC2CC2)CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate?
The InChIKey is CEPOWUXFWURDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15(2)22-12-18(10-16-8-9-16)11-19(13-22)21-20(23)24-14-17-6-4-3-5-7-17/h3-7,15-16,18-19H,8-14H2,1-2H3,(H,21,23).
What are the key properties of benzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate?
benzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate has a molecular weight of 330.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112544983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).