(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride

C18H36ClN5O — CID 69330712

IUPAC(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride
SMILESCN1CCC(N2CCN(C(=O)[C@H](N)CN3CCCCC3)CC2)CC1.Cl
InChIInChI=1S/C18H35N5O.ClH/c1-20-9-5-16(6-10-20)22-11-13-23(14-12-22)18(24)17(19)15-21-7-3-2-4-8-21;/h16-17H,2-15,19H2,1H3;1H/t17-;/m1./s1
InChIKeyFXRGIHDCIDWOCT-UNTBIKODSA-N
MW373.97 g/mol
LogP0.46
Rot. Bonds4

About (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride

(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride (PubChem CID 69330712) has the molecular formula C18H36ClN5O and a molecular weight of 373.97 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride
PubChem CID69330712
Molecular FormulaC18H36ClN5O
Molecular Weight373.97 g/mol
Exact Mass373.26
IUPAC Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride
SMILESCN1CCC(N2CCN(C(=O)[C@H](N)CN3CCCCC3)CC2)CC1.Cl
InChIInChI=1S/C18H35N5O.ClH/c1-20-9-5-16(6-10-20)22-11-13-23(14-12-22)18(24)17(19)15-21-7-3-2-4-8-21;/h16-17H,2-15,19H2,1H3;1H/t17-;/m1./s1
InChIKeyFXRGIHDCIDWOCT-UNTBIKODSA-N
XLogP0.46
TPSA56.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.97
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride (CID 69330712) is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride is CN1CCC(N2CCN(C(=O)[C@H](N)CN3CCCCC3)CC2)CC1.Cl.
What is the InChIKey of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride?
The InChIKey is FXRGIHDCIDWOCT-UNTBIKODSA-N. The full InChI is InChI=1S/C18H35N5O.ClH/c1-20-9-5-16(6-10-20)22-11-13-23(14-12-22)18(24)17(19)15-21-7-3-2-4-8-21;/h16-17H,2-15,19H2,1H3;1H/t17-;/m1./s1.
What are the key properties of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride?
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride has a molecular weight of 373.97 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 69330712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).