piperidin-4-ylmethyl N-[2-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]carbamate

C18H23N3O3S — CID 10473760

IUPACpiperidin-4-ylmethyl N-[2-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]carbamate
SMILESO=C(Nc1ccccc1-c1nc(CCO)cs1)OCC1CCNCC1
InChIInChI=1S/C18H23N3O3S/c22-10-7-14-12-25-17(20-14)15-3-1-2-4-16(15)21-18(23)24-11-13-5-8-19-9-6-13/h1-4,12-13,19,22H,5-11H2,(H,21,23)
InChIKeyQJRIAHZVVDICRV-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.89
Rot. Bonds6

About piperidin-4-ylmethyl N-[2-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]carbamate

piperidin-4-ylmethyl N-[2-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]carbamate (PubChem CID 10473760) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is piperidin-4-ylmethyl N-[2-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl N-[2-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]carbamate
PubChem CID10473760
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Namepiperidin-4-ylmethyl N-[2-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]carbamate
SMILESO=C(Nc1ccccc1-c1nc(CCO)cs1)OCC1CCNCC1
InChIInChI=1S/C18H23N3O3S/c22-10-7-14-12-25-17(20-14)15-3-1-2-4-16(15)21-18(23)24-11-13-5-8-19-9-6-13/h1-4,12-13,19,22H,5-11H2,(H,21,23)
InChIKeyQJRIAHZVVDICRV-UHFFFAOYSA-N
XLogP2.89
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

piperidin-4-ylmethyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate;hydrochloride
CID 19962099
[2-[4-(methoxymethyl)-1,3-thiazol-2-yl]phenyl]carbamic acid;piperidin-4-ylmethyl 2,2,2-trifluoroacetate
CID 159079798
pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate
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9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate
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piperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate
CID 20716331
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 119266960
[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-[2-(4-phenylphenyl)phenyl]carbamate
CID 69311024
pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate
CID 163634504
piperidin-4-ylmethyl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate
CID 87941059
N-[2-(cyclopropylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119332686
[(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate
CID 121425435
N-(2-methylphenyl)-2-(piperidin-4-ylmethoxy)acetamide
CID 39062948

Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl N-[2-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]carbamate?
The IUPAC name of piperidin-4-ylmethyl N-[2-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]carbamate (CID 10473760) is piperidin-4-ylmethyl N-[2-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]carbamate.
What is the SMILES notation for piperidin-4-ylmethyl N-[2-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]carbamate?
The canonical SMILES for piperidin-4-ylmethyl N-[2-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]carbamate is O=C(Nc1ccccc1-c1nc(CCO)cs1)OCC1CCNCC1.
What is the InChIKey of piperidin-4-ylmethyl N-[2-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]carbamate?
The InChIKey is QJRIAHZVVDICRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c22-10-7-14-12-25-17(20-14)15-3-1-2-4-16(15)21-18(23)24-11-13-5-8-19-9-6-13/h1-4,12-13,19,22H,5-11H2,(H,21,23).
What are the key properties of piperidin-4-ylmethyl N-[2-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]carbamate?
piperidin-4-ylmethyl N-[2-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]carbamate has a molecular weight of 361.47 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl N-[2-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]carbamate is sourced from PubChem (CID 10473760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).