(1-methylpiperidin-3-yl) N-propylcarbamate

C10H20N2O2 — CID 86158390

IUPAC(1-methylpiperidin-3-yl) N-propylcarbamate
SMILESCCCNC(=O)OC1CCCN(C)C1
InChIInChI=1S/C10H20N2O2/c1-3-6-11-10(13)14-9-5-4-7-12(2)8-9/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyIQEXQLHIVOPTLY-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.22
Rot. Bonds3

About (1-methylpiperidin-3-yl) N-propylcarbamate

(1-methylpiperidin-3-yl) N-propylcarbamate (PubChem CID 86158390) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl) N-propylcarbamate.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl) N-propylcarbamate
PubChem CID86158390
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(1-methylpiperidin-3-yl) N-propylcarbamate
SMILESCCCNC(=O)OC1CCCN(C)C1
InChIInChI=1S/C10H20N2O2/c1-3-6-11-10(13)14-9-5-4-7-12(2)8-9/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyIQEXQLHIVOPTLY-UHFFFAOYSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis[(3R)-1-methylpiperidin-3-yl] pentanedioate
CID 6363199
(3-aminocyclopentyl) N-propylcarbamate
CID 79464809
1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
CID 116655563
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide
CID 62659462
(1-methylpiperidin-4-yl) N-(2-chloroethyl)carbamate
CID 15229090
cyclopropyl N-butylcarbamate
CID 165447718
(1-methylpiperidin-3-yl) N-(2-methyl-4-nitrooxybutan-2-yl)carbamate
CID 67826950
(1-methylpyrrolidin-3-yl) N-[2-[(4-hydroxyphenyl)methoxy]ethyl]carbamate
CID 175889460
3-amino-N-propylpiperidine-1-carboxamide
CID 61295715
cyclopentyl N-ethylcarbamate
CID 54482890
2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide
CID 124961790
(1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate
CID 23171365

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl) N-propylcarbamate?
The IUPAC name of (1-methylpiperidin-3-yl) N-propylcarbamate (CID 86158390) is (1-methylpiperidin-3-yl) N-propylcarbamate.
What is the SMILES notation for (1-methylpiperidin-3-yl) N-propylcarbamate?
The canonical SMILES for (1-methylpiperidin-3-yl) N-propylcarbamate is CCCNC(=O)OC1CCCN(C)C1.
What is the InChIKey of (1-methylpiperidin-3-yl) N-propylcarbamate?
The InChIKey is IQEXQLHIVOPTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-6-11-10(13)14-9-5-4-7-12(2)8-9/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of (1-methylpiperidin-3-yl) N-propylcarbamate?
(1-methylpiperidin-3-yl) N-propylcarbamate has a molecular weight of 200.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl) N-propylcarbamate is sourced from PubChem (CID 86158390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).