2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride

C16H29Cl2N5O2 — CID 120800769

IUPAC2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.Cn1cc(N2CCCC(NC(=O)C(N)C3CCOCC3)C2)cn1
InChIInChI=1S/C16H27N5O2.2ClH/c1-20-11-14(9-18-20)21-6-2-3-13(10-21)19-16(22)15(17)12-4-7-23-8-5-12;;/h9,11-13,15H,2-8,10,17H2,1H3,(H,19,22);2*1H
InChIKeyWHHDRUDRDIWXOL-UHFFFAOYSA-N
MW394.35 g/mol
LogP1.10
Rot. Bonds4

About 2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120800769) has the molecular formula C16H29Cl2N5O2 and a molecular weight of 394.35 g/mol. Its IUPAC name is 2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120800769
Molecular FormulaC16H29Cl2N5O2
Molecular Weight394.35 g/mol
Exact Mass393.17
IUPAC Name2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.Cn1cc(N2CCCC(NC(=O)C(N)C3CCOCC3)C2)cn1
InChIInChI=1S/C16H27N5O2.2ClH/c1-20-11-14(9-18-20)21-6-2-3-13(10-21)19-16(22)15(17)12-4-7-23-8-5-12;;/h9,11-13,15H,2-8,10,17H2,1H3,(H,19,22);2*1H
InChIKeyWHHDRUDRDIWXOL-UHFFFAOYSA-N
XLogP1.10
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride
CID 120800731
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide
CID 120800414
1-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119889303
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride
CID 119889291
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 95967438
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 100900899
(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775077
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
CID 119889292
3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide
CID 119889300
4-(3-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]oxane-4-carboxamide
CID 126785398
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide
CID 119889326

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120800769) is 2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride is Cl.Cl.Cn1cc(N2CCCC(NC(=O)C(N)C3CCOCC3)C2)cn1.
What is the InChIKey of 2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is WHHDRUDRDIWXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2.2ClH/c1-20-11-14(9-18-20)21-6-2-3-13(10-21)19-16(22)15(17)12-4-7-23-8-5-12;;/h9,11-13,15H,2-8,10,17H2,1H3,(H,19,22);2*1H.
What are the key properties of 2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 394.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120800769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).