N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N',N'-dipropylpentanediamide

C22H43N3O2 — CID 56552369

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCC(C)(C)N1CC(C)CC(C)C1
InChIInChI=1S/C22H43N3O2/c1-7-12-24(13-8-2)21(27)11-9-10-20(26)23-17-22(5,6)25-15-18(3)14-19(4)16-25/h18-19H,7-17H2,1-6H3,(H,23,26)
InChIKeyNAMRUDVZVXZGTG-UHFFFAOYSA-N
MW381.61 g/mol
LogP3.68
Rot. Bonds11

About N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N',N'-dipropylpentanediamide

N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N',N'-dipropylpentanediamide (PubChem CID 56552369) has the molecular formula C22H43N3O2 and a molecular weight of 381.61 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N',N'-dipropylpentanediamide
PubChem CID56552369
Molecular FormulaC22H43N3O2
Molecular Weight381.61 g/mol
Exact Mass381.34
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCC(C)(C)N1CC(C)CC(C)C1
InChIInChI=1S/C22H43N3O2/c1-7-12-24(13-8-2)21(27)11-9-10-20(26)23-17-22(5,6)25-15-18(3)14-19(4)16-25/h18-19H,7-17H2,1-6H3,(H,23,26)
InChIKeyNAMRUDVZVXZGTG-UHFFFAOYSA-N
XLogP3.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.61
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride
CID 119863420
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(2-methoxyethylamino)acetamide
CID 119863471
N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide
CID 56540899
4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide
CID 60568950
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119863449
(2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid
CID 97234402
N-(oxolan-3-ylmethyl)-N',N'-dipropylpentanediamide
CID 56540109
N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide
CID 119514736
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443815
tert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate
CID 24689070
N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide;hydrochloride
CID 119514735
2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid
CID 119205165

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N',N'-dipropylpentanediamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N',N'-dipropylpentanediamide (CID 56552369) is N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)NCC(C)(C)N1CC(C)CC(C)C1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N',N'-dipropylpentanediamide?
The InChIKey is NAMRUDVZVXZGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3O2/c1-7-12-24(13-8-2)21(27)11-9-10-20(26)23-17-22(5,6)25-15-18(3)14-19(4)16-25/h18-19H,7-17H2,1-6H3,(H,23,26).
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N',N'-dipropylpentanediamide?
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N',N'-dipropylpentanediamide has a molecular weight of 381.61 g/mol, XLogP of 3.68, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56552369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).