benzyl N-butan-2-yl-N-piperidin-4-ylcarbamate

C17H26N2O2 — CID 18677686

IUPACbenzyl N-butan-2-yl-N-piperidin-4-ylcarbamate
SMILESCCC(C)N(C(=O)OCc1ccccc1)C1CCNCC1
InChIInChI=1S/C17H26N2O2/c1-3-14(2)19(16-9-11-18-12-10-16)17(20)21-13-15-7-5-4-6-8-15/h4-8,14,16,18H,3,9-13H2,1-2H3
InChIKeyVKLKRBGZXIDLAW-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.18
Rot. Bonds5

About benzyl N-butan-2-yl-N-piperidin-4-ylcarbamate

benzyl N-butan-2-yl-N-piperidin-4-ylcarbamate (PubChem CID 18677686) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is benzyl N-butan-2-yl-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Namebenzyl N-butan-2-yl-N-piperidin-4-ylcarbamate
PubChem CID18677686
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namebenzyl N-butan-2-yl-N-piperidin-4-ylcarbamate
SMILESCCC(C)N(C(=O)OCc1ccccc1)C1CCNCC1
InChIInChI=1S/C17H26N2O2/c1-3-14(2)19(16-9-11-18-12-10-16)17(20)21-13-15-7-5-4-6-8-15/h4-8,14,16,18H,3,9-13H2,1-2H3
InChIKeyVKLKRBGZXIDLAW-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)ethyl]-N-piperidin-4-ylcarbamate
CID 66798661
(2R)-3-oxo-3-phenylmethoxy-2-[phenylmethoxycarbonyl(pyrrolidin-3-yl)amino]propanoic acid
CID 68577473
benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
CID 66569385
benzyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate
CID 171068971
benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid
CID 118077491
benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 106484429
benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate
CID 96555674
benzyl piperidine-4-carboxylate;ethanol
CID 158740080
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
benzyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-propan-2-ylcarbamate
CID 66566633
benzyl N-[1-[[4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-butan-2-ylcarbamate
CID 70157140
benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]-N-propan-2-ylcarbamate
CID 66566840

Frequently Asked Questions

What is the IUPAC name of benzyl N-butan-2-yl-N-piperidin-4-ylcarbamate?
The IUPAC name of benzyl N-butan-2-yl-N-piperidin-4-ylcarbamate (CID 18677686) is benzyl N-butan-2-yl-N-piperidin-4-ylcarbamate.
What is the SMILES notation for benzyl N-butan-2-yl-N-piperidin-4-ylcarbamate?
The canonical SMILES for benzyl N-butan-2-yl-N-piperidin-4-ylcarbamate is CCC(C)N(C(=O)OCc1ccccc1)C1CCNCC1.
What is the InChIKey of benzyl N-butan-2-yl-N-piperidin-4-ylcarbamate?
The InChIKey is VKLKRBGZXIDLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-14(2)19(16-9-11-18-12-10-16)17(20)21-13-15-7-5-4-6-8-15/h4-8,14,16,18H,3,9-13H2,1-2H3.
What are the key properties of benzyl N-butan-2-yl-N-piperidin-4-ylcarbamate?
benzyl N-butan-2-yl-N-piperidin-4-ylcarbamate has a molecular weight of 290.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-butan-2-yl-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 18677686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).