N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide

C13H26N2O2 — CID 110610311

IUPACN-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide
SMILESCCOCC1CCCN(C(=O)NC(C)CC)C1
InChIInChI=1S/C13H26N2O2/c1-4-11(3)14-13(16)15-8-6-7-12(9-15)10-17-5-2/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyAJYNUPDPYRXALP-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.24
Rot. Bonds5

About N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide

N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide (PubChem CID 110610311) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide
PubChem CID110610311
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide
SMILESCCOCC1CCCN(C(=O)NC(C)CC)C1
InChIInChI=1S/C13H26N2O2/c1-4-11(3)14-13(16)15-8-6-7-12(9-15)10-17-5-2/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyAJYNUPDPYRXALP-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129393445
(3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 95905079
3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119786526
(3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide
CID 95626437
2-[1-(pentan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690824
(3S)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95969414
3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129497255
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111414506
(3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 96546479
N-[3-[3-(ethoxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 110610301
3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62199708

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide (CID 110610311) is N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide is CCOCC1CCCN(C(=O)NC(C)CC)C1.
What is the InChIKey of N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide?
The InChIKey is AJYNUPDPYRXALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-11(3)14-13(16)15-8-6-7-12(9-15)10-17-5-2/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide?
N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110610311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).