N-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide

C21H35N5O2 — CID 26336788

IUPACN-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCCCCC2)CC1
InChIInChI=1S/C21H35N5O2/c1-17(2)15-20(27)23-19-7-10-22-26(19)18-8-13-25(14-9-18)21(28)16-24-11-5-3-4-6-12-24/h7,10,17-18H,3-6,8-9,11-16H2,1-2H3,(H,23,27)
InChIKeyIXIZEIDTDJQASE-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.91
Rot. Bonds6

About N-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide

N-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide (PubChem CID 26336788) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
PubChem CID26336788
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC NameN-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCCCCC2)CC1
InChIInChI=1S/C21H35N5O2/c1-17(2)15-20(27)23-19-7-10-22-26(19)18-8-13-25(14-9-18)21(28)16-24-11-5-3-4-6-12-24/h7,10,17-18H,3-6,8-9,11-16H2,1-2H3,(H,23,27)
InChIKeyIXIZEIDTDJQASE-UHFFFAOYSA-N
XLogP2.91
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 56744490
3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42152409
1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 26336813
N-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 25286633
N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride
CID 154884999
3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 25453298
3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42508756
N-[2-[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 25377042
3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42596631
N-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid
CID 154914576
3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 56752573
3-methyl-N-[2-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 25456681

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The IUPAC name of N-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide (CID 26336788) is N-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCCCCC2)CC1.
What is the InChIKey of N-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The InChIKey is IXIZEIDTDJQASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-17(2)15-20(27)23-19-7-10-22-26(19)18-8-13-25(14-9-18)21(28)16-24-11-5-3-4-6-12-24/h7,10,17-18H,3-6,8-9,11-16H2,1-2H3,(H,23,27).
What are the key properties of N-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
N-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide has a molecular weight of 389.54 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 26336788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).