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

C19H36N4O — CID 23540154

IUPAC(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
SMILESCN1CCC(C2CCN(C(=O)[C@H](N)CN3CCCCC3)CC2)CC1
InChIInChI=1S/C19H36N4O/c1-21-11-5-16(6-12-21)17-7-13-23(14-8-17)19(24)18(20)15-22-9-3-2-4-10-22/h16-18H,2-15,20H2,1H3/t18-/m1/s1
InChIKeyXCVFGQDHGGQOFC-GOSISDBHSA-N
MW336.52 g/mol
LogP1.38
Rot. Bonds4

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

(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one (PubChem CID 23540154) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
PubChem CID23540154
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
SMILESCN1CCC(C2CCN(C(=O)[C@H](N)CN3CCCCC3)CC2)CC1
InChIInChI=1S/C19H36N4O/c1-21-11-5-16(6-12-21)17-7-13-23(14-8-17)19(24)18(20)15-22-9-3-2-4-10-22/h16-18H,2-15,20H2,1H3/t18-/m1/s1
InChIKeyXCVFGQDHGGQOFC-GOSISDBHSA-N
XLogP1.38
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one (CID 23540154) is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one is CN1CCC(C2CCN(C(=O)[C@H](N)CN3CCCCC3)CC2)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one?
The InChIKey is XCVFGQDHGGQOFC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H36N4O/c1-21-11-5-16(6-12-21)17-7-13-23(14-8-17)19(24)18(20)15-22-9-3-2-4-10-22/h16-18H,2-15,20H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one?
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one has a molecular weight of 336.52 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 23540154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).