N-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide

C17H22ClN3O2 — CID 111114068

IUPACN-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
SMILESCC(O)C1CCN(C(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1
InChIInChI=1S/C17H22ClN3O2/c1-11(21-7-5-13(6-8-21)12(2)22)17(23)20-15-4-3-14(10-19)16(18)9-15/h3-4,9,11-13,22H,5-8H2,1-2H3,(H,20,23)
InChIKeyARDCGASZKBFHBV-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.63
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide

N-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide (PubChem CID 111114068) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
PubChem CID111114068
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
SMILESCC(O)C1CCN(C(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1
InChIInChI=1S/C17H22ClN3O2/c1-11(21-7-5-13(6-8-21)12(2)22)17(23)20-15-4-3-14(10-19)16(18)9-15/h3-4,9,11-13,22H,5-8H2,1-2H3,(H,20,23)
InChIKeyARDCGASZKBFHBV-UHFFFAOYSA-N
XLogP2.63
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]propanamide
CID 127333472
N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46631115
ethyl 4-[(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 9431235
(2S)-N-(3-chloro-4-cyanophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30956056
N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111113847
ethyl (3R)-1-[(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 9444799
N-(4-cyanophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 115965231
(2R)-N-(3-chloro-4-cyanophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248461
(2S)-N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)propanamide
CID 67012255
N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114146
N-(3-chloro-4-cyanophenyl)-2-hydroxy-3-pyrrolidin-1-ylpropanamide
CID 155350792
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 111114019

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide (CID 111114068) is N-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide is CC(O)C1CCN(C(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The InChIKey is ARDCGASZKBFHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-11(21-7-5-13(6-8-21)12(2)22)17(23)20-15-4-3-14(10-19)16(18)9-15/h3-4,9,11-13,22H,5-8H2,1-2H3,(H,20,23).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
N-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide has a molecular weight of 335.84 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 111114068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).