N-[6-amino-6-(dimethylamino)-1-methyl-5-morpholin-4-yl-5-piperidin-1-yl-4-pyrrolidin-1-ylpiperazin-2-yl]acetamide

C22H44N8O2 — CID 154438048

IUPACN-[6-amino-6-(dimethylamino)-1-methyl-5-morpholin-4-yl-5-piperidin-1-yl-4-pyrrolidin-1-ylpiperazin-2-yl]acetamide
SMILESCC(=O)NC1CN(N2CCCC2)C(N2CCCCC2)(N2CCOCC2)C(N)(N(C)C)N1C
InChIInChI=1S/C22H44N8O2/c1-19(31)24-20-18-30(29-12-8-9-13-29)22(27-10-6-5-7-11-27,28-14-16-32-17-15-28)21(23,25(2)3)26(20)4/h20H,5-18,23H2,1-4H3,(H,24,31)
InChIKeyHRVCYDSZONQAPO-UHFFFAOYSA-N
MW452.65 g/mol
LogP-0.65
Rot. Bonds5

About N-[6-amino-6-(dimethylamino)-1-methyl-5-morpholin-4-yl-5-piperidin-1-yl-4-pyrrolidin-1-ylpiperazin-2-yl]acetamide

N-[6-amino-6-(dimethylamino)-1-methyl-5-morpholin-4-yl-5-piperidin-1-yl-4-pyrrolidin-1-ylpiperazin-2-yl]acetamide (PubChem CID 154438048) has the molecular formula C22H44N8O2 and a molecular weight of 452.65 g/mol. Its IUPAC name is N-[6-amino-6-(dimethylamino)-1-methyl-5-morpholin-4-yl-5-piperidin-1-yl-4-pyrrolidin-1-ylpiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-amino-6-(dimethylamino)-1-methyl-5-morpholin-4-yl-5-piperidin-1-yl-4-pyrrolidin-1-ylpiperazin-2-yl]acetamide
PubChem CID154438048
Molecular FormulaC22H44N8O2
Molecular Weight452.65 g/mol
Exact Mass452.36
IUPAC NameN-[6-amino-6-(dimethylamino)-1-methyl-5-morpholin-4-yl-5-piperidin-1-yl-4-pyrrolidin-1-ylpiperazin-2-yl]acetamide
SMILESCC(=O)NC1CN(N2CCCC2)C(N2CCCCC2)(N2CCOCC2)C(N)(N(C)C)N1C
InChIInChI=1S/C22H44N8O2/c1-19(31)24-20-18-30(29-12-8-9-13-29)22(27-10-6-5-7-11-27,28-14-16-32-17-15-28)21(23,25(2)3)26(20)4/h20H,5-18,23H2,1-4H3,(H,24,31)
InChIKeyHRVCYDSZONQAPO-UHFFFAOYSA-N
XLogP-0.65
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.65
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[1-[4-(Dimethylamino)piperidin-2-yl]-3-[[2-(dimethylamino)-2-(2-pyrrolidin-1-ylethylamino)ethyl]amino]-2-morpholin-4-ylpiperazin-2-yl]piperazin-2-one
CID 91391199
4-Piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine
CID 140984973
4-(1-Piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl)morpholine
CID 140997470
3-Piperazin-1-yl-4-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine
CID 141020606
3-Piperazin-1-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylmorpholine
CID 141089883
4-(2-Piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-1-yl)morpholine
CID 141198749
(2-Morpholin-4-yl-2-piperidin-1-ylpyrrolidin-1-yl)-(piperazin-1-yldiazenyl)oxydiazene
CID 148920644
4-(2-Piperidin-1-yl-1-pyrrolidin-1-ylpiperazin-2-yl)morpholine
CID 148920646
4-(1-Piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-2-yl)morpholine
CID 148920652
4-(2-Piperazin-1-yl-1-piperidin-1-ylpyrrolidin-2-yl)morpholine
CID 149698852
N-[2-(piperidine-1-carbonylamino)-2-(pyrrolidine-1-carbonylamino)piperazin-1-yl]morpholine-4-carboxamide
CID 153675561
4-Morpholin-4-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-amine
CID 153819472

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-6-(dimethylamino)-1-methyl-5-morpholin-4-yl-5-piperidin-1-yl-4-pyrrolidin-1-ylpiperazin-2-yl]acetamide?
The IUPAC name of N-[6-amino-6-(dimethylamino)-1-methyl-5-morpholin-4-yl-5-piperidin-1-yl-4-pyrrolidin-1-ylpiperazin-2-yl]acetamide (CID 154438048) is N-[6-amino-6-(dimethylamino)-1-methyl-5-morpholin-4-yl-5-piperidin-1-yl-4-pyrrolidin-1-ylpiperazin-2-yl]acetamide.
What is the SMILES notation for N-[6-amino-6-(dimethylamino)-1-methyl-5-morpholin-4-yl-5-piperidin-1-yl-4-pyrrolidin-1-ylpiperazin-2-yl]acetamide?
The canonical SMILES for N-[6-amino-6-(dimethylamino)-1-methyl-5-morpholin-4-yl-5-piperidin-1-yl-4-pyrrolidin-1-ylpiperazin-2-yl]acetamide is CC(=O)NC1CN(N2CCCC2)C(N2CCCCC2)(N2CCOCC2)C(N)(N(C)C)N1C.
What is the InChIKey of N-[6-amino-6-(dimethylamino)-1-methyl-5-morpholin-4-yl-5-piperidin-1-yl-4-pyrrolidin-1-ylpiperazin-2-yl]acetamide?
The InChIKey is HRVCYDSZONQAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N8O2/c1-19(31)24-20-18-30(29-12-8-9-13-29)22(27-10-6-5-7-11-27,28-14-16-32-17-15-28)21(23,25(2)3)26(20)4/h20H,5-18,23H2,1-4H3,(H,24,31).
What are the key properties of N-[6-amino-6-(dimethylamino)-1-methyl-5-morpholin-4-yl-5-piperidin-1-yl-4-pyrrolidin-1-ylpiperazin-2-yl]acetamide?
N-[6-amino-6-(dimethylamino)-1-methyl-5-morpholin-4-yl-5-piperidin-1-yl-4-pyrrolidin-1-ylpiperazin-2-yl]acetamide has a molecular weight of 452.65 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-6-(dimethylamino)-1-methyl-5-morpholin-4-yl-5-piperidin-1-yl-4-pyrrolidin-1-ylpiperazin-2-yl]acetamide is sourced from PubChem (CID 154438048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).