1-(2-aminoethyl)-N-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethyl-2-oxopiperidin-1-yl]ethyl]-5,5-dimethyl-6-oxopiperidine-3-carboxamide

C22H38N6O3 — CID 24994479

IUPAC1-(2-aminoethyl)-N-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethyl-2-oxopiperidin-1-yl]ethyl]-5,5-dimethyl-6-oxopiperidine-3-carboxamide
SMILESCC1(C)CC(C(=O)NCCN2CC(C3=NCCN3)CC(C)(C)C2=O)CN(CCN)C1=O
InChIInChI=1S/C22H38N6O3/c1-21(2)11-15(17-24-6-7-25-17)13-28(20(21)31)10-8-26-18(29)16-12-22(3,4)19(30)27(14-16)9-5-23/h15-16H,5-14,23H2,1-4H3,(H,24,25)(H,26,29)
InChIKeyNXPOQVKPBHQLOX-UHFFFAOYSA-N
MW434.59 g/mol
LogP-0.19
Rot. Bonds7

About 1-(2-aminoethyl)-N-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethyl-2-oxopiperidin-1-yl]ethyl]-5,5-dimethyl-6-oxopiperidine-3-carboxamide

1-(2-aminoethyl)-N-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethyl-2-oxopiperidin-1-yl]ethyl]-5,5-dimethyl-6-oxopiperidine-3-carboxamide (PubChem CID 24994479) has the molecular formula C22H38N6O3 and a molecular weight of 434.59 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethyl-2-oxopiperidin-1-yl]ethyl]-5,5-dimethyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethyl-2-oxopiperidin-1-yl]ethyl]-5,5-dimethyl-6-oxopiperidine-3-carboxamide
PubChem CID24994479
Molecular FormulaC22H38N6O3
Molecular Weight434.59 g/mol
Exact Mass434.30
IUPAC Name1-(2-aminoethyl)-N-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethyl-2-oxopiperidin-1-yl]ethyl]-5,5-dimethyl-6-oxopiperidine-3-carboxamide
SMILESCC1(C)CC(C(=O)NCCN2CC(C3=NCCN3)CC(C)(C)C2=O)CN(CCN)C1=O
InChIInChI=1S/C22H38N6O3/c1-21(2)11-15(17-24-6-7-25-17)13-28(20(21)31)10-8-26-18(29)16-12-22(3,4)19(30)27(14-16)9-5-23/h15-16H,5-14,23H2,1-4H3,(H,24,25)(H,26,29)
InChIKeyNXPOQVKPBHQLOX-UHFFFAOYSA-N
XLogP-0.19
TPSA120.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(2-aminoethyl)-N-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethyl-2-oxopiperidin-1-yl]ethyl]-5,5-dimethyl-6-oxopiperidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethyl-2-oxopiperidin-1-yl]ethyl]-5,5-dimethyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethyl-2-oxopiperidin-1-yl]ethyl]-5,5-dimethyl-6-oxopiperidine-3-carboxamide (CID 24994479) is 1-(2-aminoethyl)-N-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethyl-2-oxopiperidin-1-yl]ethyl]-5,5-dimethyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethyl-2-oxopiperidin-1-yl]ethyl]-5,5-dimethyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethyl-2-oxopiperidin-1-yl]ethyl]-5,5-dimethyl-6-oxopiperidine-3-carboxamide is CC1(C)CC(C(=O)NCCN2CC(C3=NCCN3)CC(C)(C)C2=O)CN(CCN)C1=O.
What is the InChIKey of 1-(2-aminoethyl)-N-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethyl-2-oxopiperidin-1-yl]ethyl]-5,5-dimethyl-6-oxopiperidine-3-carboxamide?
The InChIKey is NXPOQVKPBHQLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N6O3/c1-21(2)11-15(17-24-6-7-25-17)13-28(20(21)31)10-8-26-18(29)16-12-22(3,4)19(30)27(14-16)9-5-23/h15-16H,5-14,23H2,1-4H3,(H,24,25)(H,26,29).
What are the key properties of 1-(2-aminoethyl)-N-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethyl-2-oxopiperidin-1-yl]ethyl]-5,5-dimethyl-6-oxopiperidine-3-carboxamide?
1-(2-aminoethyl)-N-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethyl-2-oxopiperidin-1-yl]ethyl]-5,5-dimethyl-6-oxopiperidine-3-carboxamide has a molecular weight of 434.59 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethyl-2-oxopiperidin-1-yl]ethyl]-5,5-dimethyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24994479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).