2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile

C23H26N2O2 — CID 121479119

IUPAC2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
SMILESCOc1ccc2cc(C(=O)C3CCCN(CC4CC4)C3)ccc2c1CC#N
InChIInChI=1S/C23H26N2O2/c1-27-22-9-7-17-13-18(6-8-20(17)21(22)10-11-24)23(26)19-3-2-12-25(15-19)14-16-4-5-16/h6-9,13,16,19H,2-5,10,12,14-15H2,1H3
InChIKeySSSZOXBPBNLSFS-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.22
Rot. Bonds6

About 2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile

2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile (PubChem CID 121479119) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
PubChem CID121479119
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
SMILESCOc1ccc2cc(C(=O)C3CCCN(CC4CC4)C3)ccc2c1CC#N
InChIInChI=1S/C23H26N2O2/c1-27-22-9-7-17-13-18(6-8-20(17)21(22)10-11-24)23(26)19-3-2-12-25(15-19)14-16-4-5-16/h6-9,13,16,19H,2-5,10,12,14-15H2,1H3
InChIKeySSSZOXBPBNLSFS-UHFFFAOYSA-N
XLogP4.22
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile?
The IUPAC name of 2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile (CID 121479119) is 2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile.
What is the SMILES notation for 2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile?
The canonical SMILES for 2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile is COc1ccc2cc(C(=O)C3CCCN(CC4CC4)C3)ccc2c1CC#N.
What is the InChIKey of 2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile?
The InChIKey is SSSZOXBPBNLSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-27-22-9-7-17-13-18(6-8-20(17)21(22)10-11-24)23(26)19-3-2-12-25(15-19)14-16-4-5-16/h6-9,13,16,19H,2-5,10,12,14-15H2,1H3.
What are the key properties of 2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile?
2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile has a molecular weight of 362.47 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile is sourced from PubChem (CID 121479119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).