(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride

C18H36ClN5O — CID 23540197

IUPAC(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride
SMILESC[C@@H](NN1CCCCC1)C(=O)N1CCN(C2CCN(C)CC2)CC1.Cl
InChIInChI=1S/C18H35N5O.ClH/c1-16(19-23-8-4-3-5-9-23)18(24)22-14-12-21(13-15-22)17-6-10-20(2)11-7-17;/h16-17,19H,3-15H2,1-2H3;1H/t16-;/m1./s1
InChIKeyLBDBTAHXGMARPA-PKLMIRHRSA-N
MW373.97 g/mol
LogP1.03
Rot. Bonds4

About (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride

(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride (PubChem CID 23540197) has the molecular formula C18H36ClN5O and a molecular weight of 373.97 g/mol. Its IUPAC name is (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride
PubChem CID23540197
Molecular FormulaC18H36ClN5O
Molecular Weight373.97 g/mol
Exact Mass373.26
IUPAC Name(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride
SMILESC[C@@H](NN1CCCCC1)C(=O)N1CCN(C2CCN(C)CC2)CC1.Cl
InChIInChI=1S/C18H35N5O.ClH/c1-16(19-23-8-4-3-5-9-23)18(24)22-14-12-21(13-15-22)17-6-10-20(2)11-7-17;/h16-17,19H,3-15H2,1-2H3;1H/t16-;/m1./s1
InChIKeyLBDBTAHXGMARPA-PKLMIRHRSA-N
XLogP1.03
TPSA42.06 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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride?
The IUPAC name of (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride (CID 23540197) is (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride.
What is the SMILES notation for (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride?
The canonical SMILES for (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride is C[C@@H](NN1CCCCC1)C(=O)N1CCN(C2CCN(C)CC2)CC1.Cl.
What is the InChIKey of (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride?
The InChIKey is LBDBTAHXGMARPA-PKLMIRHRSA-N. The full InChI is InChI=1S/C18H35N5O.ClH/c1-16(19-23-8-4-3-5-9-23)18(24)22-14-12-21(13-15-22)17-6-10-20(2)11-7-17;/h16-17,19H,3-15H2,1-2H3;1H/t16-;/m1./s1.
What are the key properties of (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride?
(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride has a molecular weight of 373.97 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 23540197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).