[(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone

C18H34N4O — CID 120636089

IUPAC[(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCN(CC3CCCCN3C)CC2)CCN1
InChIInChI=1S/C18H34N4O/c1-15-13-16(6-7-19-15)18(23)22-11-9-21(10-12-22)14-17-5-3-4-8-20(17)2/h15-17,19H,3-14H2,1-2H3/t15-,16-,17?/m0/s1
InChIKeyGBLOILPNIVGHTH-PYNWJHIZSA-N
MW322.50 g/mol
LogP1.00
Rot. Bonds3

About [(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone

[(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 120636089) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is [(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID120636089
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name[(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCN(CC3CCCCN3C)CC2)CCN1
InChIInChI=1S/C18H34N4O/c1-15-13-16(6-7-19-15)18(23)22-11-9-21(10-12-22)14-17-5-3-4-8-20(17)2/h15-17,19H,3-14H2,1-2H3/t15-,16-,17?/m0/s1
InChIKeyGBLOILPNIVGHTH-PYNWJHIZSA-N
XLogP1.00
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone (CID 120636089) is [(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone is C[C@H]1C[C@@H](C(=O)N2CCN(CC3CCCCN3C)CC2)CCN1.
What is the InChIKey of [(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is GBLOILPNIVGHTH-PYNWJHIZSA-N. The full InChI is InChI=1S/C18H34N4O/c1-15-13-16(6-7-19-15)18(23)22-11-9-21(10-12-22)14-17-5-3-4-8-20(17)2/h15-17,19H,3-14H2,1-2H3/t15-,16-,17?/m0/s1.
What are the key properties of [(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone?
[(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 322.50 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 120636089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).