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

C18H35N5O — CID 23540194

IUPAC(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
SMILESCN1CCC(N2CCN(C(=O)[C@H](N)CN3CCCCC3)CC2)CC1
InChIInChI=1S/C18H35N5O/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/t17-/m1/s1
InChIKeyYGZCIIWMAUSROY-QGZVFWFLSA-N
MW337.51 g/mol
LogP0.04
Rot. Bonds4

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

(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one (PubChem CID 23540194) has the molecular formula C18H35N5O and a molecular weight of 337.51 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
PubChem CID23540194
Molecular FormulaC18H35N5O
Molecular Weight337.51 g/mol
Exact Mass337.28
IUPAC Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
SMILESCN1CCC(N2CCN(C(=O)[C@H](N)CN3CCCCC3)CC2)CC1
InChIInChI=1S/C18H35N5O/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/t17-/m1/s1
InChIKeyYGZCIIWMAUSROY-QGZVFWFLSA-N
XLogP0.04
TPSA56.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 50.04
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?
The IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one (CID 23540194) is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one is CN1CCC(N2CCN(C(=O)[C@H](N)CN3CCCCC3)CC2)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one?
The InChIKey is YGZCIIWMAUSROY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H35N5O/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/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?
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one has a molecular weight of 337.51 g/mol, XLogP of 0.04, 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 is sourced from PubChem (CID 23540194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).