N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide

C15H22ClN3O2 — CID 43246069

IUPACN-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1N)N1CCC(CO)CC1
InChIInChI=1S/C15H22ClN3O2/c1-10(19-6-4-11(9-20)5-7-19)15(21)18-14-8-12(16)2-3-13(14)17/h2-3,8,10-11,20H,4-7,9,17H2,1H3,(H,18,21)
InChIKeyYHUZWKFYHVZDBA-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.95
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide

N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide (PubChem CID 43246069) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
PubChem CID43246069
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1N)N1CCC(CO)CC1
InChIInChI=1S/C15H22ClN3O2/c1-10(19-6-4-11(9-20)5-7-19)15(21)18-14-8-12(16)2-3-13(14)17/h2-3,8,10-11,20H,4-7,9,17H2,1H3,(H,18,21)
InChIKeyYHUZWKFYHVZDBA-UHFFFAOYSA-N
XLogP1.95
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dichlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899247
N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60500653
N-(2,5-dimethylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110891637
(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 2690347
N-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide
CID 43266191
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 61421371
N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 112624444
N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114146
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264543
N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide
CID 16779290
1-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908247
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110891614

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide (CID 43246069) is N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide is CC(C(=O)Nc1cc(Cl)ccc1N)N1CCC(CO)CC1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
The InChIKey is YHUZWKFYHVZDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10(19-6-4-11(9-20)5-7-19)15(21)18-14-8-12(16)2-3-13(14)17/h2-3,8,10-11,20H,4-7,9,17H2,1H3,(H,18,21).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide has a molecular weight of 311.81 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 43246069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).