(2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C21H28N4O2 — CID 129382165

IUPAC(2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCOc1ccc2c(c1)CCC[C@H]2CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1
InChIInChI=1S/C21H28N4O2/c1-27-18-8-9-19-15(11-18)5-4-6-16(19)12-22-21(26)25-10-3-2-7-20(25)17-13-23-24-14-17/h8-9,11,13-14,16,20H,2-7,10,12H2,1H3,(H,22,26)(H,23,24)/t16-,20+/m0/s1
InChIKeyDTHVIVUJPSRNPV-OXJNMPFZSA-N
MW368.48 g/mol
LogP3.78
Rot. Bonds4

About (2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

(2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 129382165) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID129382165
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCOc1ccc2c(c1)CCC[C@H]2CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1
InChIInChI=1S/C21H28N4O2/c1-27-18-8-9-19-15(11-18)5-4-6-16(19)12-22-21(26)25-10-3-2-7-20(25)17-13-23-24-14-17/h8-9,11,13-14,16,20H,2-7,10,12H2,1H3,(H,22,26)(H,23,24)/t16-,20+/m0/s1
InChIKeyDTHVIVUJPSRNPV-OXJNMPFZSA-N
XLogP3.78
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573367
N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597437
3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide
CID 75478677
(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94051830
N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 75415422
N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75499708
N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75521565
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 77107324
4-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]benzene-1,4-dicarboxamide
CID 91648652
4-N-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzene-1,4-dicarboxamide
CID 99640978
(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide
CID 124721747
1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
CID 97309468

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 129382165) is (2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is COc1ccc2c(c1)CCC[C@H]2CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1.
What is the InChIKey of (2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is DTHVIVUJPSRNPV-OXJNMPFZSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-27-18-8-9-19-15(11-18)5-4-6-16(19)12-22-21(26)25-10-3-2-7-20(25)17-13-23-24-14-17/h8-9,11,13-14,16,20H,2-7,10,12H2,1H3,(H,22,26)(H,23,24)/t16-,20+/m0/s1.
What are the key properties of (2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
(2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 129382165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).