4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-(2-methylpiperazin-1-yl)-1,3-diazinane-5-carboxamide

C19H37N7O — CID 176858265

IUPAC4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-(2-methylpiperazin-1-yl)-1,3-diazinane-5-carboxamide
SMILESCNC(=O)C1CNC(N2CCNCC2C)NC1NC1CCC(C2CC2)NC1
InChIInChI=1S/C19H37N7O/c1-12-9-21-7-8-26(12)19-23-11-15(18(27)20-2)17(25-19)24-14-5-6-16(22-10-14)13-3-4-13/h12-17,19,21-25H,3-11H2,1-2H3,(H,20,27)
InChIKeyBPXGQQSLPQWRBH-UHFFFAOYSA-N
MW379.55 g/mol
LogP-1.43
Rot. Bonds5

About 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-(2-methylpiperazin-1-yl)-1,3-diazinane-5-carboxamide

4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-(2-methylpiperazin-1-yl)-1,3-diazinane-5-carboxamide (PubChem CID 176858265) has the molecular formula C19H37N7O and a molecular weight of 379.55 g/mol. Its IUPAC name is 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-(2-methylpiperazin-1-yl)-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-(2-methylpiperazin-1-yl)-1,3-diazinane-5-carboxamide
PubChem CID176858265
Molecular FormulaC19H37N7O
Molecular Weight379.55 g/mol
Exact Mass379.31
IUPAC Name4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-(2-methylpiperazin-1-yl)-1,3-diazinane-5-carboxamide
SMILESCNC(=O)C1CNC(N2CCNCC2C)NC1NC1CCC(C2CC2)NC1
InChIInChI=1S/C19H37N7O/c1-12-9-21-7-8-26(12)19-23-11-15(18(27)20-2)17(25-19)24-14-5-6-16(22-10-14)13-3-4-13/h12-17,19,21-25H,3-11H2,1-2H3,(H,20,27)
InChIKeyBPXGQQSLPQWRBH-UHFFFAOYSA-N
XLogP-1.43
TPSA92.49 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 5-1.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-(2-methylpiperazin-1-yl)-1,3-diazinane-5-carboxamide?
The IUPAC name of 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-(2-methylpiperazin-1-yl)-1,3-diazinane-5-carboxamide (CID 176858265) is 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-(2-methylpiperazin-1-yl)-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-(2-methylpiperazin-1-yl)-1,3-diazinane-5-carboxamide?
The canonical SMILES for 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-(2-methylpiperazin-1-yl)-1,3-diazinane-5-carboxamide is CNC(=O)C1CNC(N2CCNCC2C)NC1NC1CCC(C2CC2)NC1.
What is the InChIKey of 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-(2-methylpiperazin-1-yl)-1,3-diazinane-5-carboxamide?
The InChIKey is BPXGQQSLPQWRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N7O/c1-12-9-21-7-8-26(12)19-23-11-15(18(27)20-2)17(25-19)24-14-5-6-16(22-10-14)13-3-4-13/h12-17,19,21-25H,3-11H2,1-2H3,(H,20,27).
What are the key properties of 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-(2-methylpiperazin-1-yl)-1,3-diazinane-5-carboxamide?
4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-(2-methylpiperazin-1-yl)-1,3-diazinane-5-carboxamide has a molecular weight of 379.55 g/mol, XLogP of -1.43, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-(2-methylpiperazin-1-yl)-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 176858265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).