4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile

C19H27N3O2 — CID 97250074

IUPAC4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile
SMILESCCC[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N(C)C
InChIInChI=1S/C19H27N3O2/c1-4-5-18(21(2)3)19(23)22-12-10-17(11-13-22)24-16-8-6-15(14-20)7-9-16/h6-9,17-18H,4-5,10-13H2,1-3H3/t18-/m0/s1
InChIKeyFCTUFMYAMCHAQC-SFHVURJKSA-N
MW329.44 g/mol
LogP2.66
Rot. Bonds6

About 4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile

4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile (PubChem CID 97250074) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile
PubChem CID97250074
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile
SMILESCCC[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N(C)C
InChIInChI=1S/C19H27N3O2/c1-4-5-18(21(2)3)19(23)22-12-10-17(11-13-22)24-16-8-6-15(14-20)7-9-16/h6-9,17-18H,4-5,10-13H2,1-3H3/t18-/m0/s1
InChIKeyFCTUFMYAMCHAQC-SFHVURJKSA-N
XLogP2.66
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 24732829
4-[1-[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]oxybenzonitrile
CID 95907426
4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224929
4-[[4-(4-cyanophenoxy)piperidin-1-yl]methyl]benzoic acid
CID 122028993
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one
CID 90566288
4-[[4-(4-cyanophenoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 122021250
4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile
CID 24732831
ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate
CID 47005116
N-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide
CID 55609453
4-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 115965203
4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile
CID 86792878
ethyl 4-[4-(4-cyanophenyl)phenoxy]-2-(trifluoromethyl)piperidine-1-carboxylate
CID 89480693

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile?
The IUPAC name of 4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile (CID 97250074) is 4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile?
The canonical SMILES for 4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile is CCC[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N(C)C.
What is the InChIKey of 4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile?
The InChIKey is FCTUFMYAMCHAQC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-4-5-18(21(2)3)19(23)22-12-10-17(11-13-22)24-16-8-6-15(14-20)7-9-16/h6-9,17-18H,4-5,10-13H2,1-3H3/t18-/m0/s1.
What are the key properties of 4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile?
4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile has a molecular weight of 329.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 97250074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).