N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

C21H40N4O — CID 45188045

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCN1CCC(N2CCCC(C(=O)NCC3(N(C)C)CCCCC3)C2)CC1
InChIInChI=1S/C21H40N4O/c1-23(2)21(11-5-4-6-12-21)17-22-20(26)18-8-7-13-25(16-18)19-9-14-24(3)15-10-19/h18-19H,4-17H2,1-3H3,(H,22,26)
InChIKeyQFQHJYNSERTBLB-UHFFFAOYSA-N
MW364.58 g/mol
LogP2.17
Rot. Bonds5

About N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 45188045) has the molecular formula C21H40N4O and a molecular weight of 364.58 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID45188045
Molecular FormulaC21H40N4O
Molecular Weight364.58 g/mol
Exact Mass364.32
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCN1CCC(N2CCCC(C(=O)NCC3(N(C)C)CCCCC3)C2)CC1
InChIInChI=1S/C21H40N4O/c1-23(2)21(11-5-4-6-12-21)17-22-20(26)18-8-7-13-25(16-18)19-9-14-24(3)15-10-19/h18-19H,4-17H2,1-3H3,(H,22,26)
InChIKeyQFQHJYNSERTBLB-UHFFFAOYSA-N
XLogP2.17
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (CID 45188045) is N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is CN1CCC(N2CCCC(C(=O)NCC3(N(C)C)CCCCC3)C2)CC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is QFQHJYNSERTBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O/c1-23(2)21(11-5-4-6-12-21)17-22-20(26)18-8-7-13-25(16-18)19-9-14-24(3)15-10-19/h18-19H,4-17H2,1-3H3,(H,22,26).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 364.58 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 45188045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).