N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide

C22H26N4O2 — CID 97401005

IUPACN-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)c1cnccn1
InChIInChI=1S/C22H26N4O2/c27-21(19-14-23-9-10-24-19)25-18-13-22(28-20-4-2-1-3-17(18)20)7-11-26(12-8-22)15-16-5-6-16/h1-4,9-10,14,16,18H,5-8,11-13,15H2,(H,25,27)/t18-/m1/s1
InChIKeyDYDJYXNEILHOJI-GOSISDBHSA-N
MW378.48 g/mol
LogP2.97
Rot. Bonds4

About N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide

N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide (PubChem CID 97401005) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide
PubChem CID97401005
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)c1cnccn1
InChIInChI=1S/C22H26N4O2/c27-21(19-14-23-9-10-24-19)25-18-13-22(28-20-4-2-1-3-17(18)20)7-11-26(12-8-22)15-16-5-6-16/h1-4,9-10,14,16,18H,5-8,11-13,15H2,(H,25,27)/t18-/m1/s1
InChIKeyDYDJYXNEILHOJI-GOSISDBHSA-N
XLogP2.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide
CID 97401003
N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155842764
N-[(3S)-7-(cyclopropylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide
CID 97374790
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 97376409
2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-(2-methylpropyl)acetamide
CID 131640150
N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide
CID 100628157
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide
CID 97376614
N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155841808
N-(2-methylpropyl)-2-[(4R)-1'-(pyrazine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376654
5-methyl-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]furan-2-carboxamide
CID 51546641
N-(cyclopropylmethyl)-2-[(4R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376225
N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
CID 97477682

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide (CID 97401005) is N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide is O=C(N[C@@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)c1cnccn1.
What is the InChIKey of N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide?
The InChIKey is DYDJYXNEILHOJI-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-21(19-14-23-9-10-24-19)25-18-13-22(28-20-4-2-1-3-17(18)20)7-11-26(12-8-22)15-16-5-6-16/h1-4,9-10,14,16,18H,5-8,11-13,15H2,(H,25,27)/t18-/m1/s1.
What are the key properties of N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide?
N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 97401005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).