N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide

C20H31N3O — CID 95121735

IUPACN-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide
SMILESO=C(CCN1CCCC[C@@H]1c1cccnc1)NC1CCCCCC1
InChIInChI=1S/C20H31N3O/c24-20(22-18-9-3-1-2-4-10-18)12-15-23-14-6-5-11-19(23)17-8-7-13-21-16-17/h7-8,13,16,18-19H,1-6,9-12,14-15H2,(H,22,24)/t19-/m1/s1
InChIKeyCQMZFNYAZYZJNP-LJQANCHMSA-N
MW329.49 g/mol
LogP3.84
Rot. Bonds5

About N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide

N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide (PubChem CID 95121735) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide
PubChem CID95121735
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide
SMILESO=C(CCN1CCCC[C@@H]1c1cccnc1)NC1CCCCCC1
InChIInChI=1S/C20H31N3O/c24-20(22-18-9-3-1-2-4-10-18)12-15-23-14-6-5-11-19(23)17-8-7-13-21-16-17/h7-8,13,16,18-19H,1-6,9-12,14-15H2,(H,22,24)/t19-/m1/s1
InChIKeyCQMZFNYAZYZJNP-LJQANCHMSA-N
XLogP3.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1,3-benzothiazol-2-yl)-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide
CID 50956027
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964
N-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanamine
CID 176918761
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate
CID 7069814
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981
hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 137374704
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 120755177

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide?
The IUPAC name of N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide (CID 95121735) is N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide.
What is the SMILES notation for N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide?
The canonical SMILES for N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide is O=C(CCN1CCCC[C@@H]1c1cccnc1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide?
The InChIKey is CQMZFNYAZYZJNP-LJQANCHMSA-N. The full InChI is InChI=1S/C20H31N3O/c24-20(22-18-9-3-1-2-4-10-18)12-15-23-14-6-5-11-19(23)17-8-7-13-21-16-17/h7-8,13,16,18-19H,1-6,9-12,14-15H2,(H,22,24)/t19-/m1/s1.
What are the key properties of N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide?
N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide has a molecular weight of 329.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide is sourced from PubChem (CID 95121735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).