2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide

C26H49N5O2 — CID 176577064

IUPAC2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
SMILESCC(C)N(C)CCNC(=O)CN1CCC(CN2CCN(C(=O)CC3CCCCC3)CC2)CC1
InChIInChI=1S/C26H49N5O2/c1-22(2)28(3)14-11-27-25(32)21-29-12-9-24(10-13-29)20-30-15-17-31(18-16-30)26(33)19-23-7-5-4-6-8-23/h22-24H,4-21H2,1-3H3,(H,27,32)
InChIKeyKAQDGIBNYBLLJJ-UHFFFAOYSA-N
MW463.71 g/mol
LogP2.27
Rot. Bonds10

About 2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide

2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide (PubChem CID 176577064) has the molecular formula C26H49N5O2 and a molecular weight of 463.71 g/mol. Its IUPAC name is 2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
PubChem CID176577064
Molecular FormulaC26H49N5O2
Molecular Weight463.71 g/mol
Exact Mass463.39
IUPAC Name2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
SMILESCC(C)N(C)CCNC(=O)CN1CCC(CN2CCN(C(=O)CC3CCCCC3)CC2)CC1
InChIInChI=1S/C26H49N5O2/c1-22(2)28(3)14-11-27-25(32)21-29-12-9-24(10-13-29)20-30-15-17-31(18-16-30)26(33)19-23-7-5-4-6-8-23/h22-24H,4-21H2,1-3H3,(H,27,32)
InChIKeyKAQDGIBNYBLLJJ-UHFFFAOYSA-N
XLogP2.27
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.71
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide with MolForge

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Related Compounds

ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane
CID 176577196
N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
CID 177119152
ethyl 2-[4-[[1-(2-cyclohexylacetyl)piperidin-4-yl]methyl]piperazin-1-yl]acetate
CID 176578183
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]acetamide
CID 78903264
N-[2-[ethyl(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
CID 176577653
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylacetamide
CID 62636869
ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate
CID 134032765
2-(4-aminopiperidin-1-yl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 79328181
N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 114207737
N-(2-aminoethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 63010167
ethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 176578435
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 60937146

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide?
The IUPAC name of 2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide (CID 176577064) is 2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide is CC(C)N(C)CCNC(=O)CN1CCC(CN2CCN(C(=O)CC3CCCCC3)CC2)CC1.
What is the InChIKey of 2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide?
The InChIKey is KAQDGIBNYBLLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N5O2/c1-22(2)28(3)14-11-27-25(32)21-29-12-9-24(10-13-29)20-30-15-17-31(18-16-30)26(33)19-23-7-5-4-6-8-23/h22-24H,4-21H2,1-3H3,(H,27,32).
What are the key properties of 2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide?
2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide has a molecular weight of 463.71 g/mol, XLogP of 2.27, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 176577064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).