N-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide

C20H24ClN3O2 — CID 124749868

IUPACN-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC([C@H](O)c2ccccn2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3O2/c21-16-4-3-5-17(14-16)23-19(25)9-13-24-11-7-15(8-12-24)20(26)18-6-1-2-10-22-18/h1-6,10,14-15,20,26H,7-9,11-13H2,(H,23,25)/t20-/m0/s1
InChIKeyBPFNOYMXZZHYKG-FQEVSTJZSA-N
MW373.88 g/mol
LogP3.51
Rot. Bonds6

About N-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide

N-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide (PubChem CID 124749868) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide
PubChem CID124749868
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC([C@H](O)c2ccccn2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3O2/c21-16-4-3-5-17(14-16)23-19(25)9-13-24-11-7-15(8-12-24)20(26)18-6-1-2-10-22-18/h1-6,10,14-15,20,26H,7-9,11-13H2,(H,23,25)/t20-/m0/s1
InChIKeyBPFNOYMXZZHYKG-FQEVSTJZSA-N
XLogP3.51
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014570
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide
CID 33215010
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
CID 119905402
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
N-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 72853230
N-(3-chlorophenyl)-2-(1-pyridin-2-ylethylamino)acetamide
CID 43396868
N-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340911
N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 2901592
3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide
CID 114961218
N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47549626
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)propanamide
CID 55482910

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide (CID 124749868) is N-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide is O=C(CCN1CCC([C@H](O)c2ccccn2)CC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide?
The InChIKey is BPFNOYMXZZHYKG-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c21-16-4-3-5-17(14-16)23-19(25)9-13-24-11-7-15(8-12-24)20(26)18-6-1-2-10-22-18/h1-6,10,14-15,20,26H,7-9,11-13H2,(H,23,25)/t20-/m0/s1.
What are the key properties of N-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide?
N-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide has a molecular weight of 373.88 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 124749868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).