3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride

C14H25Cl2N5O — CID 120503187

IUPAC3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NC1CCCN(c2ncccn2)C1.Cl.Cl
InChIInChI=1S/C14H23N5O.2ClH/c1-10(11(2)15)13(20)18-12-5-3-8-19(9-12)14-16-6-4-7-17-14;;/h4,6-7,10-12H,3,5,8-9,15H2,1-2H3,(H,18,20);2*1H
InChIKeyMRXKCQKSZASMGE-UHFFFAOYSA-N
MW350.29 g/mol
LogP1.39
Rot. Bonds4

About 3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride

3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride (PubChem CID 120503187) has the molecular formula C14H25Cl2N5O and a molecular weight of 350.29 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride
PubChem CID120503187
Molecular FormulaC14H25Cl2N5O
Molecular Weight350.29 g/mol
Exact Mass349.14
IUPAC Name3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NC1CCCN(c2ncccn2)C1.Cl.Cl
InChIInChI=1S/C14H23N5O.2ClH/c1-10(11(2)15)13(20)18-12-5-3-8-19(9-12)14-16-6-4-7-17-14;;/h4,6-7,10-12H,3,5,8-9,15H2,1-2H3,(H,18,20);2*1H
InChIKeyMRXKCQKSZASMGE-UHFFFAOYSA-N
XLogP1.39
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 65224744
3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride
CID 120504040
(2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide
CID 61179360
(2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 95134540
4-acetyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,4-diazepane-1-carboxamide
CID 94031653
tert-butyl N-[(2R)-1-oxo-1-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]amino]propan-2-yl]carbamate
CID 94518257
2-amino-2-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 60866816
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride (CID 120503187) is 3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride is CC(N)C(C)C(=O)NC1CCCN(c2ncccn2)C1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride?
The InChIKey is MRXKCQKSZASMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O.2ClH/c1-10(11(2)15)13(20)18-12-5-3-8-19(9-12)14-16-6-4-7-17-14;;/h4,6-7,10-12H,3,5,8-9,15H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride?
3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride has a molecular weight of 350.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride is sourced from PubChem (CID 120503187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).