5-[(3R)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

C22H28N4O3 — CID 129324033

IUPAC5-[(3R)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)c2cc3c(cc2O)CCCC3)C1
InChIInChI=1S/C22H28N4O3/c1-25(2)21(28)18-12-23-24-20(18)16-8-5-9-26(13-16)22(29)17-10-14-6-3-4-7-15(14)11-19(17)27/h10-12,16,27H,3-9,13H2,1-2H3,(H,23,24)/t16-/m1/s1
InChIKeyHXNVDSGVGKVWOH-MRXNPFEDSA-N
MW396.49 g/mol
LogP2.72
Rot. Bonds3

About 5-[(3R)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

5-[(3R)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 129324033) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-[(3R)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3R)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID129324033
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name5-[(3R)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)c2cc3c(cc2O)CCCC3)C1
InChIInChI=1S/C22H28N4O3/c1-25(2)21(28)18-12-23-24-20(18)16-8-5-9-26(13-16)22(29)17-10-14-6-3-4-7-15(14)11-19(17)27/h10-12,16,27H,3-9,13H2,1-2H3,(H,23,24)/t16-/m1/s1
InChIKeyHXNVDSGVGKVWOH-MRXNPFEDSA-N
XLogP2.72
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(3R)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 129324033) is 5-[(3R)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3R)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3R)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is CN(C)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)c2cc3c(cc2O)CCCC3)C1.
What is the InChIKey of 5-[(3R)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is HXNVDSGVGKVWOH-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-25(2)21(28)18-12-23-24-20(18)16-8-5-9-26(13-16)22(29)17-10-14-6-3-4-7-15(14)11-19(17)27/h10-12,16,27H,3-9,13H2,1-2H3,(H,23,24)/t16-/m1/s1.
What are the key properties of 5-[(3R)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-[(3R)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 129324033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).