(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C18H22N4O2 — CID 99777080

IUPAC(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)N1CCCC[C@@H]1c1cn[nH]c1
InChIInChI=1S/C18H22N4O2/c23-18(21-15-8-10-24-17-7-2-1-5-14(15)17)22-9-4-3-6-16(22)13-11-19-20-12-13/h1-2,5,7,11-12,15-16H,3-4,6,8-10H2,(H,19,20)(H,21,23)/t15-,16+/m0/s1
InChIKeyNPKYJZFCEXKENE-JKSUJKDBSA-N
MW326.40 g/mol
LogP3.17
Rot. Bonds2

About (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 99777080) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID99777080
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)N1CCCC[C@@H]1c1cn[nH]c1
InChIInChI=1S/C18H22N4O2/c23-18(21-15-8-10-24-17-7-2-1-5-14(15)17)22-9-4-3-6-16(22)13-11-19-20-12-13/h1-2,5,7,11-12,15-16H,3-4,6,8-10H2,(H,19,20)(H,21,23)/t15-,16+/m0/s1
InChIKeyNPKYJZFCEXKENE-JKSUJKDBSA-N
XLogP3.17
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-tert-butylpyrazol-3-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 99777080) is (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is O=C(N[C@H]1CCOc2ccccc21)N1CCCC[C@@H]1c1cn[nH]c1.
What is the InChIKey of (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is NPKYJZFCEXKENE-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(21-15-8-10-24-17-7-2-1-5-14(15)17)22-9-4-3-6-16(22)13-11-19-20-12-13/h1-2,5,7,11-12,15-16H,3-4,6,8-10H2,(H,19,20)(H,21,23)/t15-,16+/m0/s1.
What are the key properties of (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 99777080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).