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

C23H47N5O — CID 177119152

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCC(C)N1CCN(CC2CCN(CC(=O)NCCN(C(C)C)C(C)C)CC2)CC1
InChIInChI=1S/C23H47N5O/c1-19(2)27-15-13-26(14-16-27)17-22-7-10-25(11-8-22)18-23(29)24-9-12-28(20(3)4)21(5)6/h19-22H,7-18H2,1-6H3,(H,24,29)
InChIKeyLEWWKTJUKYWOTQ-UHFFFAOYSA-N
MW409.66 g/mol
LogP1.96
Rot. Bonds10

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

N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 177119152) has the molecular formula C23H47N5O and a molecular weight of 409.66 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
PubChem CID177119152
Molecular FormulaC23H47N5O
Molecular Weight409.66 g/mol
Exact Mass409.38
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCC(C)N1CCN(CC2CCN(CC(=O)NCCN(C(C)C)C(C)C)CC2)CC1
InChIInChI=1S/C23H47N5O/c1-19(2)27-15-13-26(14-16-27)17-22-7-10-25(11-8-22)18-23(29)24-9-12-28(20(3)4)21(5)6/h19-22H,7-18H2,1-6H3,(H,24,29)
InChIKeyLEWWKTJUKYWOTQ-UHFFFAOYSA-N
XLogP1.96
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.66
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen
CID 177062205
molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide
CID 176577501
1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-2-one
CID 176575948
ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane
CID 176577196
2-[4-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 176577064
ethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 176578435
N-(2-aminoethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 63010167
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide
CID 176576139
(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 166021048
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]acetamide
CID 78903264

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide (CID 177119152) is N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide is CC(C)N1CCN(CC2CCN(CC(=O)NCCN(C(C)C)C(C)C)CC2)CC1.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is LEWWKTJUKYWOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N5O/c1-19(2)27-15-13-26(14-16-27)17-22-7-10-25(11-8-22)18-23(29)24-9-12-28(20(3)4)21(5)6/h19-22H,7-18H2,1-6H3,(H,24,29).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 409.66 g/mol, XLogP of 1.96, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 177119152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).