ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone

C21H42N4O — CID 176568951

IUPACethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCC.CC(C)N1CCC(N2CCN(C(=O)C3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C19H36N4O.C2H6/c1-16(2)21-10-6-18(7-11-21)22-12-14-23(15-13-22)19(24)17-4-8-20(3)9-5-17;1-2/h16-18H,4-15H2,1-3H3;1-2H3
InChIKeyKKYGVDJABDSEKC-UHFFFAOYSA-N
MW366.59 g/mol
LogP2.37
Rot. Bonds3

About ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone

ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone (PubChem CID 176568951) has the molecular formula C21H42N4O and a molecular weight of 366.59 g/mol. Its IUPAC name is ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone
PubChem CID176568951
Molecular FormulaC21H42N4O
Molecular Weight366.59 g/mol
Exact Mass366.34
IUPAC Nameethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCC.CC(C)N1CCC(N2CCN(C(=O)C3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C19H36N4O.C2H6/c1-16(2)21-10-6-18(7-11-21)22-12-14-23(15-13-22)19(24)17-4-8-20(3)9-5-17;1-2/h16-18H,4-15H2,1-3H3;1-2H3
InChIKeyKKYGVDJABDSEKC-UHFFFAOYSA-N
XLogP2.37
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone (CID 176568951) is ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone is CC.CC(C)N1CCC(N2CCN(C(=O)C3CCN(C)CC3)CC2)CC1.
What is the InChIKey of ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is KKYGVDJABDSEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O.C2H6/c1-16(2)21-10-6-18(7-11-21)22-12-14-23(15-13-22)19(24)17-4-8-20(3)9-5-17;1-2/h16-18H,4-15H2,1-3H3;1-2H3.
What are the key properties of ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone?
ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 366.59 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 176568951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).