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

C16H21N3O2 — CID 43421973

IUPACN-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESN#Cc1ccc(NC(=O)CCN2CCCC(CO)C2)cc1
InChIInChI=1S/C16H21N3O2/c17-10-13-3-5-15(6-4-13)18-16(21)7-9-19-8-1-2-14(11-19)12-20/h3-6,14,20H,1-2,7-9,11-12H2,(H,18,21)
InChIKeyCDROUEGEHOMHDP-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.59
Rot. Bonds5

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

N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide (PubChem CID 43421973) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
PubChem CID43421973
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESN#Cc1ccc(NC(=O)CCN2CCCC(CO)C2)cc1
InChIInChI=1S/C16H21N3O2/c17-10-13-3-5-15(6-4-13)18-16(21)7-9-19-8-1-2-14(11-19)12-20/h3-6,14,20H,1-2,7-9,11-12H2,(H,18,21)
InChIKeyCDROUEGEHOMHDP-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

3-[(3R)-3-aminopiperidin-1-yl]-N-(4-cyanophenyl)propanamide
CID 102985639
N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246129
N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 111750178
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
N-(4-cyanophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962066
(3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide
CID 25471392
N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43430359
N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243966
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
N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246133
N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882625

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide (CID 43421973) is N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide is N#Cc1ccc(NC(=O)CCN2CCCC(CO)C2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The InChIKey is CDROUEGEHOMHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-10-13-3-5-15(6-4-13)18-16(21)7-9-19-8-1-2-14(11-19)12-20/h3-6,14,20H,1-2,7-9,11-12H2,(H,18,21).
What are the key properties of N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
N-(4-cyanophenyl)-3-[3-(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-[3-(hydroxymethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 43421973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).