3-acetyl-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide

C17H27N5O2 — CID 29028354

IUPAC3-acetyl-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCC(=O)c1cc(C(=O)N[C@@H]2CCCN(C3CCN(C)CC3)C2)[nH]n1
InChIInChI=1S/C17H27N5O2/c1-12(23)15-10-16(20-19-15)17(24)18-13-4-3-7-22(11-13)14-5-8-21(2)9-6-14/h10,13-14H,3-9,11H2,1-2H3,(H,18,24)(H,19,20)/t13-/m1/s1
InChIKeyDNJATBIUNVUERG-CYBMUJFWSA-N
MW333.44 g/mol
LogP0.90
Rot. Bonds4

About 3-acetyl-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide

3-acetyl-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 29028354) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-acetyl-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID29028354
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name3-acetyl-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCC(=O)c1cc(C(=O)N[C@@H]2CCCN(C3CCN(C)CC3)C2)[nH]n1
InChIInChI=1S/C17H27N5O2/c1-12(23)15-10-16(20-19-15)17(24)18-13-4-3-7-22(11-13)14-5-8-21(2)9-6-14/h10,13-14H,3-9,11H2,1-2H3,(H,18,24)(H,19,20)/t13-/m1/s1
InChIKeyDNJATBIUNVUERG-CYBMUJFWSA-N
XLogP0.90
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 45233020
3-amino-N-(1-cyclopentylpiperidin-3-yl)-1H-pyrazole-5-carboxamide
CID 91766340
5-acetyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 56887081
2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide
CID 30851817
3-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 64524814
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide
CID 45184033
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide
CID 26409604
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentanecarboxamide
CID 45181380
N-(1-cyclopentylpiperidin-3-yl)-1H-imidazole-5-carboxamide
CID 118773701
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45178828
2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 25373995
4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 29084805

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-acetyl-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide (CID 29028354) is 3-acetyl-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-acetyl-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-acetyl-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide is CC(=O)c1cc(C(=O)N[C@@H]2CCCN(C3CCN(C)CC3)C2)[nH]n1.
What is the InChIKey of 3-acetyl-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is DNJATBIUNVUERG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12(23)15-10-16(20-19-15)17(24)18-13-4-3-7-22(11-13)14-5-8-21(2)9-6-14/h10,13-14H,3-9,11H2,1-2H3,(H,18,24)(H,19,20)/t13-/m1/s1.
What are the key properties of 3-acetyl-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide?
3-acetyl-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 29028354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).