(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one;hydrochloride

C19H37ClN4O — CID 69329689

IUPAC(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one;hydrochloride
SMILESCN1CCC(C2CCN(C(=O)[C@@](C)(N)N3CCCCC3)CC2)CC1.Cl
InChIInChI=1S/C19H36N4O.ClH/c1-19(20,23-10-4-3-5-11-23)18(24)22-14-8-17(9-15-22)16-6-12-21(2)13-7-16;/h16-17H,3-15,20H2,1-2H3;1H/t19-;/m0./s1
InChIKeyBPJSNVNMDUKROK-FYZYNONXSA-N
MW372.99 g/mol
LogP2.15
Rot. Bonds3

About (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one;hydrochloride

(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one;hydrochloride (PubChem CID 69329689) has the molecular formula C19H37ClN4O and a molecular weight of 372.99 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one;hydrochloride
PubChem CID69329689
Molecular FormulaC19H37ClN4O
Molecular Weight372.99 g/mol
Exact Mass372.27
IUPAC Name(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one;hydrochloride
SMILESCN1CCC(C2CCN(C(=O)[C@@](C)(N)N3CCCCC3)CC2)CC1.Cl
InChIInChI=1S/C19H36N4O.ClH/c1-19(20,23-10-4-3-5-11-23)18(24)22-14-8-17(9-15-22)16-6-12-21(2)13-7-16;/h16-17H,3-15,20H2,1-2H3;1H/t19-;/m0./s1
InChIKeyBPJSNVNMDUKROK-FYZYNONXSA-N
XLogP2.15
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.99
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one;hydrochloride (CID 69329689) is (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one;hydrochloride is CN1CCC(C2CCN(C(=O)[C@@](C)(N)N3CCCCC3)CC2)CC1.Cl.
What is the InChIKey of (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one;hydrochloride?
The InChIKey is BPJSNVNMDUKROK-FYZYNONXSA-N. The full InChI is InChI=1S/C19H36N4O.ClH/c1-19(20,23-10-4-3-5-11-23)18(24)22-14-8-17(9-15-22)16-6-12-21(2)13-7-16;/h16-17H,3-15,20H2,1-2H3;1H/t19-;/m0./s1.
What are the key properties of (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one;hydrochloride?
(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one;hydrochloride has a molecular weight of 372.99 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 69329689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).