N-[1-[2-(3-aminopyrazol-1-yl)acetyl]piperidin-4-yl]butanamide

C14H23N5O2 — CID 62112396

IUPACN-[1-[2-(3-aminopyrazol-1-yl)acetyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)Cn2ccc(N)n2)CC1
InChIInChI=1S/C14H23N5O2/c1-2-3-13(20)16-11-4-7-18(8-5-11)14(21)10-19-9-6-12(15)17-19/h6,9,11H,2-5,7-8,10H2,1H3,(H2,15,17)(H,16,20)
InChIKeySCGDYHQKBGFTPZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.37
Rot. Bonds5

About N-[1-[2-(3-aminopyrazol-1-yl)acetyl]piperidin-4-yl]butanamide

N-[1-[2-(3-aminopyrazol-1-yl)acetyl]piperidin-4-yl]butanamide (PubChem CID 62112396) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[1-[2-(3-aminopyrazol-1-yl)acetyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-[2-(3-aminopyrazol-1-yl)acetyl]piperidin-4-yl]butanamide
PubChem CID62112396
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[1-[2-(3-aminopyrazol-1-yl)acetyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)Cn2ccc(N)n2)CC1
InChIInChI=1S/C14H23N5O2/c1-2-3-13(20)16-11-4-7-18(8-5-11)14(21)10-19-9-6-12(15)17-19/h6,9,11H,2-5,7-8,10H2,1H3,(H2,15,17)(H,16,20)
InChIKeySCGDYHQKBGFTPZ-UHFFFAOYSA-N
XLogP0.37
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 62101058
2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 55160891
2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 54594517
2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone
CID 62102676
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide
CID 54871655
2-(3-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107403471
1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide
CID 103194086
4-[2-(3-aminopyrazol-1-yl)acetyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83099535
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
N-[1-[3-(ethylamino)propanoyl]piperidin-4-yl]butanamide
CID 62835122
2-(3-aminopyrazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 107843305
2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 62101718

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-aminopyrazol-1-yl)acetyl]piperidin-4-yl]butanamide?
The IUPAC name of N-[1-[2-(3-aminopyrazol-1-yl)acetyl]piperidin-4-yl]butanamide (CID 62112396) is N-[1-[2-(3-aminopyrazol-1-yl)acetyl]piperidin-4-yl]butanamide.
What is the SMILES notation for N-[1-[2-(3-aminopyrazol-1-yl)acetyl]piperidin-4-yl]butanamide?
The canonical SMILES for N-[1-[2-(3-aminopyrazol-1-yl)acetyl]piperidin-4-yl]butanamide is CCCC(=O)NC1CCN(C(=O)Cn2ccc(N)n2)CC1.
What is the InChIKey of N-[1-[2-(3-aminopyrazol-1-yl)acetyl]piperidin-4-yl]butanamide?
The InChIKey is SCGDYHQKBGFTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-2-3-13(20)16-11-4-7-18(8-5-11)14(21)10-19-9-6-12(15)17-19/h6,9,11H,2-5,7-8,10H2,1H3,(H2,15,17)(H,16,20).
What are the key properties of N-[1-[2-(3-aminopyrazol-1-yl)acetyl]piperidin-4-yl]butanamide?
N-[1-[2-(3-aminopyrazol-1-yl)acetyl]piperidin-4-yl]butanamide has a molecular weight of 293.37 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-aminopyrazol-1-yl)acetyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 62112396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).