N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide

C16H21N3O2 — CID 43246129

IUPACN-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESN#Cc1ccc(NC(=O)CCN2CCC(CO)CC2)cc1
InChIInChI=1S/C16H21N3O2/c17-11-13-1-3-15(4-2-13)18-16(21)7-10-19-8-5-14(12-20)6-9-19/h1-4,14,20H,5-10,12H2,(H,18,21)
InChIKeyQHZJEMUZPKMBPG-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.59
Rot. Bonds5

About N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide

N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide (PubChem CID 43246129) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide
PubChem CID43246129
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESN#Cc1ccc(NC(=O)CCN2CCC(CO)CC2)cc1
InChIInChI=1S/C16H21N3O2/c17-11-13-1-3-15(4-2-13)18-16(21)7-10-19-8-5-14(12-20)6-9-19/h1-4,14,20H,5-10,12H2,(H,18,21)
InChIKeyQHZJEMUZPKMBPG-UHFFFAOYSA-N
XLogP1.59
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246133
N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43421973
N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243966
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
N-(4-cyanophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962066
3-[(3R)-3-aminopiperidin-1-yl]-N-(4-cyanophenyl)propanamide
CID 102985639
3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
CID 28793141
3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 79874391
N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62058920
ethyl 4-[3-(4-cyanoanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 33406443
N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30400948
(3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide
CID 25471392

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide (CID 43246129) is N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide is N#Cc1ccc(NC(=O)CCN2CCC(CO)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
The InChIKey is QHZJEMUZPKMBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-11-13-1-3-15(4-2-13)18-16(21)7-10-19-8-5-14(12-20)6-9-19/h1-4,14,20H,5-10,12H2,(H,18,21).
What are the key properties of N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 43246129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).