3-amino-N-[[1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride

C17H27Cl2N5O2 — CID 120579670

IUPAC3-amino-N-[[1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCC(C)c1ncc(Cl)c(C(=O)N2CCCCC2CNC(=O)CCN)n1.Cl
InChIInChI=1S/C17H26ClN5O2.ClH/c1-11(2)16-21-10-13(18)15(22-16)17(25)23-8-4-3-5-12(23)9-20-14(24)6-7-19;/h10-12H,3-9,19H2,1-2H3,(H,20,24);1H
InChIKeyZCJAQXVSQOFKNB-UHFFFAOYSA-N
MW404.34 g/mol
LogP2.13
Rot. Bonds6

About 3-amino-N-[[1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120579670) has the molecular formula C17H27Cl2N5O2 and a molecular weight of 404.34 g/mol. Its IUPAC name is 3-amino-N-[[1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120579670
Molecular FormulaC17H27Cl2N5O2
Molecular Weight404.34 g/mol
Exact Mass403.15
IUPAC Name3-amino-N-[[1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCC(C)c1ncc(Cl)c(C(=O)N2CCCCC2CNC(=O)CCN)n1.Cl
InChIInChI=1S/C17H26ClN5O2.ClH/c1-11(2)16-21-10-13(18)15(22-16)17(25)23-8-4-3-5-12(23)9-20-14(24)6-7-19;/h10-12H,3-9,19H2,1-2H3,(H,20,24);1H
InChIKeyZCJAQXVSQOFKNB-UHFFFAOYSA-N
XLogP2.13
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[[1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride with MolForge

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Related Compounds

(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95353546
3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580168
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578938
3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580275
3-amino-N-[[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578314
3-amino-N-[[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579762
3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120580035
3-amino-N-[[1-(4-ethylthiadiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579438
3-amino-N-[[1-(2-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579826
3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
CID 120579611
3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120579881

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120579670) is 3-amino-N-[[1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride is CC(C)c1ncc(Cl)c(C(=O)N2CCCCC2CNC(=O)CCN)n1.Cl.
What is the InChIKey of 3-amino-N-[[1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is ZCJAQXVSQOFKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN5O2.ClH/c1-11(2)16-21-10-13(18)15(22-16)17(25)23-8-4-3-5-12(23)9-20-14(24)6-7-19;/h10-12H,3-9,19H2,1-2H3,(H,20,24);1H.
What are the key properties of 3-amino-N-[[1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 404.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120579670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).