N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide

C17H33N3O2 — CID 111443815

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC1CC(C)CN(C(C)(C)CNC(=O)N2CCC(CO)C2)C1
InChIInChI=1S/C17H33N3O2/c1-13-7-14(2)9-20(8-13)17(3,4)12-18-16(22)19-6-5-15(10-19)11-21/h13-15,21H,5-12H2,1-4H3,(H,18,22)
InChIKeyKWMPSWOIHAPNCG-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.77
Rot. Bonds4

About N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide

N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111443815) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111443815
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC1CC(C)CN(C(C)(C)CNC(=O)N2CCC(CO)C2)C1
InChIInChI=1S/C17H33N3O2/c1-13-7-14(2)9-20(8-13)17(3,4)12-18-16(22)19-6-5-15(10-19)11-21/h13-15,21H,5-12H2,1-4H3,(H,18,22)
InChIKeyKWMPSWOIHAPNCG-UHFFFAOYSA-N
XLogP1.77
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111443816
3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 111443830
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide
CID 130668438
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
CID 110903346
methyl 1-[N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111253429
3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 82508766
3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863426
3-(hydroxymethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]pyrrolidine-1-carboxamide
CID 111444071
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174638
3-(hydroxymethyl)-N-(4-methylpentyl)pyrrolidine-1-carboxamide
CID 111443668
3-methyl-N-(2,2,4-trimethyl-4-sulfanylpentyl)pyrrolidine-1-carboxamide
CID 155742876

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111443815) is N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide is CC1CC(C)CN(C(C)(C)CNC(=O)N2CCC(CO)C2)C1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is KWMPSWOIHAPNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-13-7-14(2)9-20(8-13)17(3,4)12-18-16(22)19-6-5-15(10-19)11-21/h13-15,21H,5-12H2,1-4H3,(H,18,22).
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 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]-3-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111443815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).