N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-pyridin-4-yloxypiperidine-1-carboxamide

C22H27N3O3 — CID 121497447

IUPACN-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-pyridin-4-yloxypiperidine-1-carboxamide
SMILESCOc1ccc2c(c1)CCCC2NC(=O)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C22H27N3O3/c1-27-19-5-6-20-16(15-19)3-2-4-21(20)24-22(26)25-13-9-18(10-14-25)28-17-7-11-23-12-8-17/h5-8,11-12,15,18,21H,2-4,9-10,13-14H2,1H3,(H,24,26)
InChIKeyKQDRFWDPJIGFBR-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.72
Rot. Bonds4

About N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-pyridin-4-yloxypiperidine-1-carboxamide

N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-pyridin-4-yloxypiperidine-1-carboxamide (PubChem CID 121497447) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-pyridin-4-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-pyridin-4-yloxypiperidine-1-carboxamide
PubChem CID121497447
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-pyridin-4-yloxypiperidine-1-carboxamide
SMILESCOc1ccc2c(c1)CCCC2NC(=O)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C22H27N3O3/c1-27-19-5-6-20-16(15-19)3-2-4-21(20)24-22(26)25-13-9-18(10-14-25)28-17-7-11-23-12-8-17/h5-8,11-12,15,18,21H,2-4,9-10,13-14H2,1H3,(H,24,26)
InChIKeyKQDRFWDPJIGFBR-UHFFFAOYSA-N
XLogP3.72
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-pyridin-4-yloxypiperidine-1-carboxamide?
The IUPAC name of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-pyridin-4-yloxypiperidine-1-carboxamide (CID 121497447) is N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-pyridin-4-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-pyridin-4-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-pyridin-4-yloxypiperidine-1-carboxamide is COc1ccc2c(c1)CCCC2NC(=O)N1CCC(Oc2ccncc2)CC1.
What is the InChIKey of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-pyridin-4-yloxypiperidine-1-carboxamide?
The InChIKey is KQDRFWDPJIGFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-27-19-5-6-20-16(15-19)3-2-4-21(20)24-22(26)25-13-9-18(10-14-25)28-17-7-11-23-12-8-17/h5-8,11-12,15,18,21H,2-4,9-10,13-14H2,1H3,(H,24,26).
What are the key properties of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-pyridin-4-yloxypiperidine-1-carboxamide?
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-pyridin-4-yloxypiperidine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-pyridin-4-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 121497447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).