N-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide

C14H25N3O2 — CID 110899386

IUPACN-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESCCN(CC(C)C#N)C(=O)CN1CCC(CO)CC1
InChIInChI=1S/C14H25N3O2/c1-3-17(9-12(2)8-15)14(19)10-16-6-4-13(11-18)5-7-16/h12-13,18H,3-7,9-11H2,1-2H3
InChIKeyCMISRIHQNQPDEL-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.70
Rot. Bonds6

About N-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide

N-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 110899386) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID110899386
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESCCN(CC(C)C#N)C(=O)CN1CCC(CO)CC1
InChIInChI=1S/C14H25N3O2/c1-3-17(9-12(2)8-15)14(19)10-16-6-4-13(11-18)5-7-16/h12-13,18H,3-7,9-11H2,1-2H3
InChIKeyCMISRIHQNQPDEL-UHFFFAOYSA-N
XLogP0.70
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-cyanopropyl]-N-ethyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 98850108
N-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899377
N-(2-cyanopropyl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 87012625
2-[4-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 87013786
N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide
CID 51092606
N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79160129
N-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide
CID 87014367
N-(2-cyanopropyl)-N-ethyl-3-piperidin-2-ylpropanamide
CID 55049291
N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249005
2-(4-aminopiperidin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 79327859
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
N-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 121200050

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide (CID 110899386) is N-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide is CCN(CC(C)C#N)C(=O)CN1CCC(CO)CC1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is CMISRIHQNQPDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-17(9-12(2)8-15)14(19)10-16-6-4-13(11-18)5-7-16/h12-13,18H,3-7,9-11H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
N-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 267.37 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 110899386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).