3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide

C16H31N3O2 — CID 111443816

IUPAC3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide
SMILESCC1CCCN(C(C)(C)CNC(=O)N2CCC(CO)C2)C1
InChIInChI=1S/C16H31N3O2/c1-13-5-4-7-19(9-13)16(2,3)12-17-15(21)18-8-6-14(10-18)11-20/h13-14,20H,4-12H2,1-3H3,(H,17,21)
InChIKeyXUAPGCPVHPGTPB-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.52
Rot. Bonds4

About 3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide (PubChem CID 111443816) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide
PubChem CID111443816
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide
SMILESCC1CCCN(C(C)(C)CNC(=O)N2CCC(CO)C2)C1
InChIInChI=1S/C16H31N3O2/c1-13-5-4-7-19(9-13)16(2,3)12-17-15(21)18-8-6-14(10-18)11-20/h13-14,20H,4-12H2,1-3H3,(H,17,21)
InChIKeyXUAPGCPVHPGTPB-UHFFFAOYSA-N
XLogP1.52
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443815
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
CID 110903346
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpiperidine-1-carboxamide
CID 79160357
3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 111443830
ethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate
CID 60569016
3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60568645
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007
(2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide
CID 96539152
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 119863623
(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide
CID 130668438
1,2-dimethyl-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 86777122

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide (CID 111443816) is 3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide is CC1CCCN(C(C)(C)CNC(=O)N2CCC(CO)C2)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide?
The InChIKey is XUAPGCPVHPGTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13-5-4-7-19(9-13)16(2,3)12-17-15(21)18-8-6-14(10-18)11-20/h13-14,20H,4-12H2,1-3H3,(H,17,21).
What are the key properties of 3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111443816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).