molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide

C20H45N5O — CID 176577501

IUPACmolecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCC(C)NCCNC(=O)CN1CCN(CC2CCN(C(C)C)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C20H41N5O.2H2/c1-17(2)21-7-8-22-20(26)16-24-13-11-23(12-14-24)15-19-5-9-25(10-6-19)18(3)4;;/h17-19,21H,5-16H2,1-4H3,(H,22,26);2*1H
InChIKeyFQCPBPYQMAWJBF-UHFFFAOYSA-N
MW371.61 g/mol
LogP1.33
Rot. Bonds9

About molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide

molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 176577501) has the molecular formula C20H45N5O and a molecular weight of 371.61 g/mol. Its IUPAC name is molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Namemolecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide
PubChem CID176577501
Molecular FormulaC20H45N5O
Molecular Weight371.61 g/mol
Exact Mass371.36
IUPAC Namemolecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCC(C)NCCNC(=O)CN1CCN(CC2CCN(C(C)C)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C20H41N5O.2H2/c1-17(2)21-7-8-22-20(26)16-24-13-11-23(12-14-24)15-19-5-9-25(10-6-19)18(3)4;;/h17-19,21H,5-16H2,1-4H3,(H,22,26);2*1H
InChIKeyFQCPBPYQMAWJBF-UHFFFAOYSA-N
XLogP1.33
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.61
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-propylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide
CID 176576139
ethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 176578435
N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
CID 177119152
N-[2-[ethyl(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
CID 176577653
(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 166021048
ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170617031
1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-2-one
CID 176575948
N-(2-aminoethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 63010167
3-methyl-1-[4-[[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one
CID 177119154
N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen
CID 176576480
N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine
CID 63007603

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide (CID 176577501) is molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide is CC(C)NCCNC(=O)CN1CCN(CC2CCN(C(C)C)CC2)CC1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is FQCPBPYQMAWJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N5O.2H2/c1-17(2)21-7-8-22-20(26)16-24-13-11-23(12-14-24)15-19-5-9-25(10-6-19)18(3)4;;/h17-19,21H,5-16H2,1-4H3,(H,22,26);2*1H.
What are the key properties of molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide?
molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 371.61 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 176577501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).