[6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone

C20H24N4O2 — CID 97135307

IUPAC[6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cncc(NC[C@@H]2COc3ccccc3C2)n1)N1CCCCC1
InChIInChI=1S/C20H24N4O2/c25-20(24-8-4-1-5-9-24)17-12-21-13-19(23-17)22-11-15-10-16-6-2-3-7-18(16)26-14-15/h2-3,6-7,12-13,15H,1,4-5,8-11,14H2,(H,22,23)/t15-/m1/s1
InChIKeyBWTFPFBMPBDMQY-OAHLLOKOSA-N
MW352.44 g/mol
LogP2.77
Rot. Bonds4

About [6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone

[6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 97135307) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone
PubChem CID97135307
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cncc(NC[C@@H]2COc3ccccc3C2)n1)N1CCCCC1
InChIInChI=1S/C20H24N4O2/c25-20(24-8-4-1-5-9-24)17-12-21-13-19(23-17)22-11-15-10-16-6-2-3-7-18(16)26-14-15/h2-3,6-7,12-13,15H,1,4-5,8-11,14H2,(H,22,23)/t15-/m1/s1
InChIKeyBWTFPFBMPBDMQY-OAHLLOKOSA-N
XLogP2.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[6-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134696530
pyrrolidin-1-yl-[6-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylamino]-3-pyridinyl]methanone
CID 97189759
N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide
CID 47115544
[6-[(4-benzyl-1,4-oxazepan-2-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135117721
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 97444843
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide
CID 94513083
[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone
CID 72881865
6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyrazine-2-carboxylic acid
CID 66450571
3,4-dihydro-2H-chromen-3-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63589640
[4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 97271263
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
(3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid
CID 81126614

Frequently Asked Questions

What is the IUPAC name of [6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone (CID 97135307) is [6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone is O=C(c1cncc(NC[C@@H]2COc3ccccc3C2)n1)N1CCCCC1.
What is the InChIKey of [6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is BWTFPFBMPBDMQY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-20(24-8-4-1-5-9-24)17-12-21-13-19(23-17)22-11-15-10-16-6-2-3-7-18(16)26-14-15/h2-3,6-7,12-13,15H,1,4-5,8-11,14H2,(H,22,23)/t15-/m1/s1.
What are the key properties of [6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone?
[6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 352.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 97135307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).