[(3,4-dichlorophenyl)-[(2R)-piperidin-2-yl]methyl] N-(1H-indazol-5-yl)carbamate

C20H20Cl2N4O2 — CID 68672905

IUPAC[(3,4-dichlorophenyl)-[(2R)-piperidin-2-yl]methyl] N-(1H-indazol-5-yl)carbamate
SMILESO=C(Nc1ccc2[nH]ncc2c1)OC(c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1
InChIInChI=1S/C20H20Cl2N4O2/c21-15-6-4-12(10-16(15)22)19(18-3-1-2-8-23-18)28-20(27)25-14-5-7-17-13(9-14)11-24-26-17/h4-7,9-11,18-19,23H,1-3,8H2,(H,24,26)(H,25,27)/t18-,19?/m1/s1
InChIKeyNERQPBHTWZJQTA-MRTLOADZSA-N
MW419.31 g/mol
LogP5.30
Rot. Bonds4

About [(3,4-dichlorophenyl)-[(2R)-piperidin-2-yl]methyl] N-(1H-indazol-5-yl)carbamate

[(3,4-dichlorophenyl)-[(2R)-piperidin-2-yl]methyl] N-(1H-indazol-5-yl)carbamate (PubChem CID 68672905) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is [(3,4-dichlorophenyl)-[(2R)-piperidin-2-yl]methyl] N-(1H-indazol-5-yl)carbamate.

Molecular Properties

Compound Name[(3,4-dichlorophenyl)-[(2R)-piperidin-2-yl]methyl] N-(1H-indazol-5-yl)carbamate
PubChem CID68672905
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC Name[(3,4-dichlorophenyl)-[(2R)-piperidin-2-yl]methyl] N-(1H-indazol-5-yl)carbamate
SMILESO=C(Nc1ccc2[nH]ncc2c1)OC(c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1
InChIInChI=1S/C20H20Cl2N4O2/c21-15-6-4-12(10-16(15)22)19(18-3-1-2-8-23-18)28-20(27)25-14-5-7-17-13(9-14)11-24-26-17/h4-7,9-11,18-19,23H,1-3,8H2,(H,24,26)(H,25,27)/t18-,19?/m1/s1
InChIKeyNERQPBHTWZJQTA-MRTLOADZSA-N
XLogP5.30
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.31
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
[(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride
CID 160711504
N-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119683903
N-(piperidin-2-ylmethyl)-1H-indazol-5-amine
CID 106633290
1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea
CID 166286364
1H-indazol-5-yl N-[[3-[(4-tert-butylphenyl)carbamoyl]phenyl]-[(2S)-piperidin-2-yl]methyl]carbamate
CID 68672676
1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea
CID 166196110
2-hydroxyethyl N-(1H-indazol-5-yl)carbamate
CID 79346712
cyclopentyl N-(3,4-dichlorophenyl)carbamate
CID 5110802
2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol
CID 73309636
1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea
CID 150071160
1-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 117073886

Frequently Asked Questions

What is the IUPAC name of [(3,4-dichlorophenyl)-[(2R)-piperidin-2-yl]methyl] N-(1H-indazol-5-yl)carbamate?
The IUPAC name of [(3,4-dichlorophenyl)-[(2R)-piperidin-2-yl]methyl] N-(1H-indazol-5-yl)carbamate (CID 68672905) is [(3,4-dichlorophenyl)-[(2R)-piperidin-2-yl]methyl] N-(1H-indazol-5-yl)carbamate.
What is the SMILES notation for [(3,4-dichlorophenyl)-[(2R)-piperidin-2-yl]methyl] N-(1H-indazol-5-yl)carbamate?
The canonical SMILES for [(3,4-dichlorophenyl)-[(2R)-piperidin-2-yl]methyl] N-(1H-indazol-5-yl)carbamate is O=C(Nc1ccc2[nH]ncc2c1)OC(c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1.
What is the InChIKey of [(3,4-dichlorophenyl)-[(2R)-piperidin-2-yl]methyl] N-(1H-indazol-5-yl)carbamate?
The InChIKey is NERQPBHTWZJQTA-MRTLOADZSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2/c21-15-6-4-12(10-16(15)22)19(18-3-1-2-8-23-18)28-20(27)25-14-5-7-17-13(9-14)11-24-26-17/h4-7,9-11,18-19,23H,1-3,8H2,(H,24,26)(H,25,27)/t18-,19?/m1/s1.
What are the key properties of [(3,4-dichlorophenyl)-[(2R)-piperidin-2-yl]methyl] N-(1H-indazol-5-yl)carbamate?
[(3,4-dichlorophenyl)-[(2R)-piperidin-2-yl]methyl] N-(1H-indazol-5-yl)carbamate has a molecular weight of 419.31 g/mol, XLogP of 5.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-dichlorophenyl)-[(2R)-piperidin-2-yl]methyl] N-(1H-indazol-5-yl)carbamate is sourced from PubChem (CID 68672905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).