benzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate

C20H32N2O2 — CID 70111942

IUPACbenzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate
SMILESCCCC(CCCN1CCCCC1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H32N2O2/c1-2-10-19(13-9-16-22-14-7-4-8-15-22)21-20(23)24-17-18-11-5-3-6-12-18/h3,5-6,11-12,19H,2,4,7-10,13-17H2,1H3,(H,21,23)
InChIKeyVCIXNSZBLFBOQX-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.35
Rot. Bonds9

About benzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate

benzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate (PubChem CID 70111942) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is benzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate
PubChem CID70111942
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Namebenzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate
SMILESCCCC(CCCN1CCCCC1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H32N2O2/c1-2-10-19(13-9-16-22-14-7-4-8-15-22)21-20(23)24-17-18-11-5-3-6-12-18/h3,5-6,11-12,19H,2,4,7-10,13-17H2,1H3,(H,21,23)
InChIKeyVCIXNSZBLFBOQX-UHFFFAOYSA-N
XLogP4.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 102254929
benzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate
CID 67310517
benzyl N-(1-hydroxyoctan-3-yl)carbamate
CID 121391580
benzyl N-(piperidin-1-ylmethyl)carbamate
CID 22375295
benzyl N-(1-aminobutyl)carbamate
CID 3840640
[(2S)-2-(phenylmethoxycarbonylamino)pentyl] methanesulfonate
CID 129302825
benzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate
CID 71168695
ethyl 3-cyclohexyl-3-oxo-2-(phenylmethoxycarbonylamino)propanoate
CID 102486430
cyclohexyl (3R)-3-(phenylmethoxycarbonylamino)nonane-1-sulfonate
CID 11553966
(2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide
CID 66638181
benzyl N-(1-phenylbutyl)carbamate
CID 101400436
benzyl N-undec-1-en-4-ylcarbamate
CID 10924709

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate?
The IUPAC name of benzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate (CID 70111942) is benzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate.
What is the SMILES notation for benzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate?
The canonical SMILES for benzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate is CCCC(CCCN1CCCCC1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate?
The InChIKey is VCIXNSZBLFBOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-2-10-19(13-9-16-22-14-7-4-8-15-22)21-20(23)24-17-18-11-5-3-6-12-18/h3,5-6,11-12,19H,2,4,7-10,13-17H2,1H3,(H,21,23).
What are the key properties of benzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate?
benzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate has a molecular weight of 332.49 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate is sourced from PubChem (CID 70111942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).