N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride

C20H36ClN5O2 — CID 154884999

IUPACN-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)[C@H](N)CC(C)(C)C)CC1.Cl
InChIInChI=1S/C20H35N5O2.ClH/c1-14(2)12-18(26)23-17-6-9-22-25(17)15-7-10-24(11-8-15)19(27)16(21)13-20(3,4)5;/h6,9,14-16H,7-8,10-13,21H2,1-5H3,(H,23,26);1H/t16-;/m1./s1
InChIKeyGPYXUWLNRMRLFC-PKLMIRHRSA-N
MW413.99 g/mol
LogP3.22
Rot. Bonds6

About N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride

N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride (PubChem CID 154884999) has the molecular formula C20H36ClN5O2 and a molecular weight of 413.99 g/mol. Its IUPAC name is N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride
PubChem CID154884999
Molecular FormulaC20H36ClN5O2
Molecular Weight413.99 g/mol
Exact Mass413.26
IUPAC NameN-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)[C@H](N)CC(C)(C)C)CC1.Cl
InChIInChI=1S/C20H35N5O2.ClH/c1-14(2)12-18(26)23-17-6-9-22-25(17)15-7-10-24(11-8-15)19(27)16(21)13-20(3,4)5;/h6,9,14-16H,7-8,10-13,21H2,1-5H3,(H,23,26);1H/t16-;/m1./s1
InChIKeyGPYXUWLNRMRLFC-PKLMIRHRSA-N
XLogP3.22
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.99
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride?
The IUPAC name of N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride (CID 154884999) is N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride?
The canonical SMILES for N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride is CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)[C@H](N)CC(C)(C)C)CC1.Cl.
What is the InChIKey of N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride?
The InChIKey is GPYXUWLNRMRLFC-PKLMIRHRSA-N. The full InChI is InChI=1S/C20H35N5O2.ClH/c1-14(2)12-18(26)23-17-6-9-22-25(17)15-7-10-24(11-8-15)19(27)16(21)13-20(3,4)5;/h6,9,14-16H,7-8,10-13,21H2,1-5H3,(H,23,26);1H/t16-;/m1./s1.
What are the key properties of N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride?
N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride has a molecular weight of 413.99 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 154884999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).