N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride

C14H24ClN5O2 — CID 119728654

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1cnn(CC(N)=O)c1)C1CCNCC1.Cl
InChIInChI=1S/C14H23N5O2.ClH/c1-10(11-2-4-16-5-3-11)6-14(21)18-12-7-17-19(8-12)9-13(15)20;/h7-8,10-11,16H,2-6,9H2,1H3,(H2,15,20)(H,18,21);1H
InChIKeyUJWMKROXRIHEIQ-UHFFFAOYSA-N
MW329.83 g/mol
LogP0.75
Rot. Bonds6

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119728654) has the molecular formula C14H24ClN5O2 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119728654
Molecular FormulaC14H24ClN5O2
Molecular Weight329.83 g/mol
Exact Mass329.16
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1cnn(CC(N)=O)c1)C1CCNCC1.Cl
InChIInChI=1S/C14H23N5O2.ClH/c1-10(11-2-4-16-5-3-11)6-14(21)18-12-7-17-19(8-12)9-13(15)20;/h7-8,10-11,16H,2-6,9H2,1H3,(H2,15,20)(H,18,21);1H
InChIKeyUJWMKROXRIHEIQ-UHFFFAOYSA-N
XLogP0.75
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide
CID 119728762
N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119728726
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871215
2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid
CID 81049063
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-3-ylbutanamide
CID 119728755
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride
CID 119788959
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119717532
3-piperidin-4-yl-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide;hydrochloride
CID 119399813
2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119771549

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119728654) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)Nc1cnn(CC(N)=O)c1)C1CCNCC1.Cl.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is UJWMKROXRIHEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2.ClH/c1-10(11-2-4-16-5-3-11)6-14(21)18-12-7-17-19(8-12)9-13(15)20;/h7-8,10-11,16H,2-6,9H2,1H3,(H2,15,20)(H,18,21);1H.
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119728654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).