N,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide

C29H31N3O2 — CID 59674299

IUPACN,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(-c4cccnc4)cc32)cc1
InChIInChI=1S/C29H31N3O2/c1-3-32(4-2)28(33)22-9-7-21(8-10-22)26-19-29(13-16-30-17-14-29)34-27-12-11-23(18-25(26)27)24-6-5-15-31-20-24/h5-12,15,18-20,30H,3-4,13-14,16-17H2,1-2H3
InChIKeyKPTIABQGTXGDLJ-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.18
Rot. Bonds5

About N,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide

N,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide (PubChem CID 59674299) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
PubChem CID59674299
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC NameN,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(-c4cccnc4)cc32)cc1
InChIInChI=1S/C29H31N3O2/c1-3-32(4-2)28(33)22-9-7-21(8-10-22)26-19-29(13-16-30-17-14-29)34-27-12-11-23(18-25(26)27)24-6-5-15-31-20-24/h5-12,15,18-20,30H,3-4,13-14,16-17H2,1-2H3
InChIKeyKPTIABQGTXGDLJ-UHFFFAOYSA-N
XLogP5.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide?
The IUPAC name of N,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide (CID 59674299) is N,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide.
What is the SMILES notation for N,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide?
The canonical SMILES for N,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide is CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(-c4cccnc4)cc32)cc1.
What is the InChIKey of N,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide?
The InChIKey is KPTIABQGTXGDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-3-32(4-2)28(33)22-9-7-21(8-10-22)26-19-29(13-16-30-17-14-29)34-27-12-11-23(18-25(26)27)24-6-5-15-31-20-24/h5-12,15,18-20,30H,3-4,13-14,16-17H2,1-2H3.
What are the key properties of N,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide?
N,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide has a molecular weight of 453.59 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide is sourced from PubChem (CID 59674299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).