4-ethoxy-1-(3-methylpentanoyl)piperidine-4-carbonitrile

C14H24N2O2 — CID 114284190

IUPAC4-ethoxy-1-(3-methylpentanoyl)piperidine-4-carbonitrile
SMILESCCOC1(C#N)CCN(C(=O)CC(C)CC)CC1
InChIInChI=1S/C14H24N2O2/c1-4-12(3)10-13(17)16-8-6-14(11-15,7-9-16)18-5-2/h12H,4-10H2,1-3H3
InChIKeyUDYUMZBXMARVPN-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.34
Rot. Bonds5

About 4-ethoxy-1-(3-methylpentanoyl)piperidine-4-carbonitrile

4-ethoxy-1-(3-methylpentanoyl)piperidine-4-carbonitrile (PubChem CID 114284190) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-ethoxy-1-(3-methylpentanoyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-ethoxy-1-(3-methylpentanoyl)piperidine-4-carbonitrile
PubChem CID114284190
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-ethoxy-1-(3-methylpentanoyl)piperidine-4-carbonitrile
SMILESCCOC1(C#N)CCN(C(=O)CC(C)CC)CC1
InChIInChI=1S/C14H24N2O2/c1-4-12(3)10-13(17)16-8-6-14(11-15,7-9-16)18-5-2/h12H,4-10H2,1-3H3
InChIKeyUDYUMZBXMARVPN-UHFFFAOYSA-N
XLogP2.34
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
1-(3-methylpentanoyl)piperidine-3-carbonitrile
CID 114874755
3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 114875598
(3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one
CID 100704548
4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile
CID 114284237
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one
CID 114874861
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 104982251
2-[1-(3-methylpentanoyl)pyrrolidin-3-yl]acetic acid
CID 114873775
1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile
CID 114284241
3-methyl-1-(3-methylbutanoyl)azetidine-3-carbonitrile
CID 130917722
ethyl (3R)-3-methylpentanoate
CID 7567160
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 114875391

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(3-methylpentanoyl)piperidine-4-carbonitrile?
The IUPAC name of 4-ethoxy-1-(3-methylpentanoyl)piperidine-4-carbonitrile (CID 114284190) is 4-ethoxy-1-(3-methylpentanoyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-ethoxy-1-(3-methylpentanoyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-ethoxy-1-(3-methylpentanoyl)piperidine-4-carbonitrile is CCOC1(C#N)CCN(C(=O)CC(C)CC)CC1.
What is the InChIKey of 4-ethoxy-1-(3-methylpentanoyl)piperidine-4-carbonitrile?
The InChIKey is UDYUMZBXMARVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-12(3)10-13(17)16-8-6-14(11-15,7-9-16)18-5-2/h12H,4-10H2,1-3H3.
What are the key properties of 4-ethoxy-1-(3-methylpentanoyl)piperidine-4-carbonitrile?
4-ethoxy-1-(3-methylpentanoyl)piperidine-4-carbonitrile has a molecular weight of 252.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(3-methylpentanoyl)piperidine-4-carbonitrile is sourced from PubChem (CID 114284190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).