N-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide

C15H25N3O — CID 116817146

IUPACN-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide
SMILESCN1CCC(CC(=O)NC2CCC(CC#N)CC2)C1
InChIInChI=1S/C15H25N3O/c1-18-9-7-13(11-18)10-15(19)17-14-4-2-12(3-5-14)6-8-16/h12-14H,2-7,9-11H2,1H3,(H,17,19)
InChIKeyKVZZYCVDQKOEBL-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.92
Rot. Bonds4

About N-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide

N-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide (PubChem CID 116817146) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide
PubChem CID116817146
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide
SMILESCN1CCC(CC(=O)NC2CCC(CC#N)CC2)C1
InChIInChI=1S/C15H25N3O/c1-18-9-7-13(11-18)10-15(19)17-14-4-2-12(3-5-14)6-8-16/h12-14H,2-7,9-11H2,1H3,(H,17,19)
InChIKeyKVZZYCVDQKOEBL-UHFFFAOYSA-N
XLogP1.92
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(1-methylpiperidin-3-yl)acetamide
CID 110848024
N-(4-methylcyclohexyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 149102304
N-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide
CID 116817135
2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide
CID 61465317
N-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116816962
N-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide
CID 115270253
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
2-(azetidin-3-yl)-N-cyclopropylacetamide;2-(1-methylazetidin-3-yl)acetic acid;hydrochloride
CID 160590199
2-[4-(cyanomethyl)cyclohexyl]acetic acid
CID 10749914
2-(4-aminocyclohexyl)-N-(1-methylpiperidin-3-yl)acetamide
CID 62781090
3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 115173838
2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide
CID 110848144

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide?
The IUPAC name of N-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide (CID 116817146) is N-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide?
The canonical SMILES for N-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide is CN1CCC(CC(=O)NC2CCC(CC#N)CC2)C1.
What is the InChIKey of N-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide?
The InChIKey is KVZZYCVDQKOEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-18-9-7-13(11-18)10-15(19)17-14-4-2-12(3-5-14)6-8-16/h12-14H,2-7,9-11H2,1H3,(H,17,19).
What are the key properties of N-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide?
N-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 116817146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).