N-(2-methoxyethyl)-4-propyl-N-(thiolan-3-yl)piperidine-4-carboxamide

C16H30N2O2S — CID 63128378

IUPACN-(2-methoxyethyl)-4-propyl-N-(thiolan-3-yl)piperidine-4-carboxamide
SMILESCCCC1(C(=O)N(CCOC)C2CCSC2)CCNCC1
InChIInChI=1S/C16H30N2O2S/c1-3-5-16(6-8-17-9-7-16)15(19)18(10-11-20-2)14-4-12-21-13-14/h14,17H,3-13H2,1-2H3
InChIKeyAXHCUWZQVMKSCL-UHFFFAOYSA-N
MW314.50 g/mol
LogP2.14
Rot. Bonds7

About N-(2-methoxyethyl)-4-propyl-N-(thiolan-3-yl)piperidine-4-carboxamide

N-(2-methoxyethyl)-4-propyl-N-(thiolan-3-yl)piperidine-4-carboxamide (PubChem CID 63128378) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-propyl-N-(thiolan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-propyl-N-(thiolan-3-yl)piperidine-4-carboxamide
PubChem CID63128378
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC NameN-(2-methoxyethyl)-4-propyl-N-(thiolan-3-yl)piperidine-4-carboxamide
SMILESCCCC1(C(=O)N(CCOC)C2CCSC2)CCNCC1
InChIInChI=1S/C16H30N2O2S/c1-3-5-16(6-8-17-9-7-16)15(19)18(10-11-20-2)14-4-12-21-13-14/h14,17H,3-13H2,1-2H3
InChIKeyAXHCUWZQVMKSCL-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 63128216
N-cyclobutyl-N-(3-hydroxypropyl)-4-propylpiperidine-4-carboxamide
CID 102861592
(2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide
CID 61163362
2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 64612000
5-[2-methoxyethyl(thiolan-3-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102688134
N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63139877
N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-propylpiperidine-4-carboxamide
CID 63128358
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide
CID 79013230
N-cyclopropyl-N-(2-methoxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 63143850
2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide
CID 54871455
5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid
CID 54875063
3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550350

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-propyl-N-(thiolan-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-propyl-N-(thiolan-3-yl)piperidine-4-carboxamide (CID 63128378) is N-(2-methoxyethyl)-4-propyl-N-(thiolan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-propyl-N-(thiolan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-propyl-N-(thiolan-3-yl)piperidine-4-carboxamide is CCCC1(C(=O)N(CCOC)C2CCSC2)CCNCC1.
What is the InChIKey of N-(2-methoxyethyl)-4-propyl-N-(thiolan-3-yl)piperidine-4-carboxamide?
The InChIKey is AXHCUWZQVMKSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-3-5-16(6-8-17-9-7-16)15(19)18(10-11-20-2)14-4-12-21-13-14/h14,17H,3-13H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-propyl-N-(thiolan-3-yl)piperidine-4-carboxamide?
N-(2-methoxyethyl)-4-propyl-N-(thiolan-3-yl)piperidine-4-carboxamide has a molecular weight of 314.50 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-propyl-N-(thiolan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 63128378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).