(3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide

C19H26N4O2 — CID 97453314

IUPAC(3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide
SMILESCCCO[C@@H]1CCCN(C(=O)Nc2cc(-c3ccccc3)nn2C)C1
InChIInChI=1S/C19H26N4O2/c1-3-12-25-16-10-7-11-23(14-16)19(24)20-18-13-17(21-22(18)2)15-8-5-4-6-9-15/h4-6,8-9,13,16H,3,7,10-12,14H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyRKUFCHWHRRIPRL-MRXNPFEDSA-N
MW342.44 g/mol
LogP3.51
Rot. Bonds5

About (3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide

(3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide (PubChem CID 97453314) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide
PubChem CID97453314
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide
SMILESCCCO[C@@H]1CCCN(C(=O)Nc2cc(-c3ccccc3)nn2C)C1
InChIInChI=1S/C19H26N4O2/c1-3-12-25-16-10-7-11-23(14-16)19(24)20-18-13-17(21-22(18)2)15-8-5-4-6-9-15/h4-6,8-9,13,16H,3,7,10-12,14H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyRKUFCHWHRRIPRL-MRXNPFEDSA-N
XLogP3.51
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl-3-phenylpyrazol-5-yl)-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 156608111
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
2-[3-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]pyridine-4-carboxylic acid
CID 125163547
3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 54989771
2-phenylsulfanyl-1-(3-propoxypiperidin-1-yl)ethanone
CID 91786439
methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate
CID 95198757
(3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 47911164
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766
(1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257218
(3R)-N-[(3-methylsulfanylphenyl)methyl]-3-propoxypiperidine-1-carboxamide
CID 126439091
(2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid
CID 103927834
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 70763009

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide?
The IUPAC name of (3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide (CID 97453314) is (3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide is CCCO[C@@H]1CCCN(C(=O)Nc2cc(-c3ccccc3)nn2C)C1.
What is the InChIKey of (3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide?
The InChIKey is RKUFCHWHRRIPRL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-12-25-16-10-7-11-23(14-16)19(24)20-18-13-17(21-22(18)2)15-8-5-4-6-9-15/h4-6,8-9,13,16H,3,7,10-12,14H2,1-2H3,(H,20,24)/t16-/m1/s1.
What are the key properties of (3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide?
(3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide is sourced from PubChem (CID 97453314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).