2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide

C16H31N3O — CID 60577595

IUPAC2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
SMILESCC1CCCN(CC(C)NC(=O)N2CCCCC2C)C1
InChIInChI=1S/C16H31N3O/c1-13-7-6-9-18(11-13)12-14(2)17-16(20)19-10-5-4-8-15(19)3/h13-15H,4-12H2,1-3H3,(H,17,20)
InChIKeyIAYZPPGGZWJUAX-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.69
Rot. Bonds3

About 2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide

2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 60577595) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
PubChem CID60577595
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
SMILESCC1CCCN(CC(C)NC(=O)N2CCCCC2C)C1
InChIInChI=1S/C16H31N3O/c1-13-7-6-9-18(11-13)12-14(2)17-16(20)19-10-5-4-8-15(19)3/h13-15H,4-12H2,1-3H3,(H,17,20)
InChIKeyIAYZPPGGZWJUAX-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
N-butan-2-yl-2-methylpiperidine-1-carboxamide
CID 45366573
1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 60577973
2-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
CID 119863261
1-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 127272562
ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
CID 60577460
2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 60577976
2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride
CID 119863256
4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride
CID 120564985
4-methyl-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583839
1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 110933354
1-(4-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 110903659

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide (CID 60577595) is 2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide is CC1CCCN(CC(C)NC(=O)N2CCCCC2C)C1.
What is the InChIKey of 2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is IAYZPPGGZWJUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13-7-6-9-18(11-13)12-14(2)17-16(20)19-10-5-4-8-15(19)3/h13-15H,4-12H2,1-3H3,(H,17,20).
What are the key properties of 2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 60577595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).