N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C24H37N3O3 — CID 46411434

IUPACN-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCN(C)C1(CNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)CCCCCC1
InChIInChI=1S/C24H37N3O3/c1-26(2)24(14-8-3-4-9-15-24)19-25-23(29)20-12-16-27(17-13-20)22(28)18-30-21-10-6-5-7-11-21/h5-7,10-11,20H,3-4,8-9,12-19H2,1-2H3,(H,25,29)
InChIKeyTXVYJWAHCRMIAB-UHFFFAOYSA-N
MW415.58 g/mol
LogP3.07
Rot. Bonds7

About N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 46411434) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID46411434
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC NameN-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCN(C)C1(CNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)CCCCCC1
InChIInChI=1S/C24H37N3O3/c1-26(2)24(14-8-3-4-9-15-24)19-25-23(29)20-12-16-27(17-13-20)22(28)18-30-21-10-6-5-7-11-21/h5-7,10-11,20H,3-4,8-9,12-19H2,1-2H3,(H,25,29)
InChIKeyTXVYJWAHCRMIAB-UHFFFAOYSA-N
XLogP3.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55634987
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55694691
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 60579640
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631173
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633115
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119221159

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 46411434) is N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is CN(C)C1(CNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)CCCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is TXVYJWAHCRMIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-26(2)24(14-8-3-4-9-15-24)19-25-23(29)20-12-16-27(17-13-20)22(28)18-30-21-10-6-5-7-11-21/h5-7,10-11,20H,3-4,8-9,12-19H2,1-2H3,(H,25,29).
What are the key properties of N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 415.58 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 46411434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).