(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C20H23N3O3 — CID 95345095

IUPAC(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C20H23N3O3/c24-20(22-17-5-6-18-19(11-17)26-10-9-25-18)16-4-2-8-23(14-16)13-15-3-1-7-21-12-15/h1,3,5-7,11-12,16H,2,4,8-10,13-14H2,(H,22,24)/t16-/m1/s1
InChIKeyRYBPSYSKGMOLRV-MRXNPFEDSA-N
MW353.42 g/mol
LogP2.70
Rot. Bonds4

About (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide

(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 95345095) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID95345095
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C20H23N3O3/c24-20(22-17-5-6-18-19(11-17)26-10-9-25-18)16-4-2-8-23(14-16)13-15-3-1-7-21-12-15/h1,3,5-7,11-12,16H,2,4,8-10,13-14H2,(H,22,24)/t16-/m1/s1
InChIKeyRYBPSYSKGMOLRV-MRXNPFEDSA-N
XLogP2.70
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923161
(3S)-1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 93491855
1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 43923163
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide
CID 171704634
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45216567
1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide
CID 60563088
(3S)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95353130
(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95353129
N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 45193611
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930423
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935028

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 95345095) is (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(Cc2cccnc2)C1.
What is the InChIKey of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is RYBPSYSKGMOLRV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-20(22-17-5-6-18-19(11-17)26-10-9-25-18)16-4-2-8-23(14-16)13-15-3-1-7-21-12-15/h1,3,5-7,11-12,16H,2,4,8-10,13-14H2,(H,22,24)/t16-/m1/s1.
What are the key properties of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95345095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).